smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])s2)c1C	ZINC000829580485	600899750	/nfs/dbraw/zinc/89/97/50/600899750.db2.gz	VFFXJLIDRIZFSR-ZROIWOOFSA-N	-1	0	357.435	3.820	20	50		FHGDRM
O=C([O-])[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1F	ZINC000833097412	601738549	/nfs/dbraw/zinc/73/85/49/601738549.db2.gz	LFPSXNZUZBFHIJ-ABAIWWIYSA-N	-1	0	357.472	3.782	20	50		FHGDRM
O=C([O-])c1ccc(CCC(=O)NNc2c(Cl)cccc2Cl)cc1	ZINC000833101664	602052787	/nfs/dbraw/zinc/05/27/87/602052787.db2.gz	AWFXTGVNUZMYBN-UHFFFAOYSA-N	-1	0	353.205	3.768	20	50		FHGDRM
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1	ZINC000830064513	604555058	/nfs/dbraw/zinc/55/50/58/604555058.db2.gz	SWSKOLSYKVXJBN-QQFZQELXSA-N	-1	0	369.373	3.896	20	50		FHGDRM
CC(C)Oc1ccccc1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833507274	605245464	/nfs/dbraw/zinc/24/54/64/605245464.db2.gz	FFDWXNGDXSWFBK-UHFFFAOYSA-N	-1	0	362.813	3.511	20	50		FHGDRM
C[C@@H]1CCc2[nH]c3ccc(C(=O)NNc4ccccc4C(=O)[O-])cc3c2C1	ZINC000833616529	605260380	/nfs/dbraw/zinc/26/03/80/605260380.db2.gz	CCMAOXYLAOUALD-GFCCVEGCSA-N	-1	0	363.417	3.748	20	50		FHGDRM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CCCC[C@@H]3CCSS3)C[C@H]21	ZINC000834176470	605581064	/nfs/dbraw/zinc/58/10/64/605581064.db2.gz	PMVIJLFKZWHWDT-KBUPBQIOSA-N	-1	0	372.556	3.595	20	50		FHGDRM
C/C(=C/C(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1OC(F)F	ZINC000833383093	605730065	/nfs/dbraw/zinc/73/00/65/605730065.db2.gz	RLQJUCXCHMPHIG-LUAWRHEFSA-N	-1	0	362.332	3.533	20	50		FHGDRM
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1C(F)(F)F	ZINC000833522176	605741558	/nfs/dbraw/zinc/74/15/58/605741558.db2.gz	XVZRJEYYQISZLM-JTQLQIEISA-N	-1	0	367.327	3.791	20	50		FHGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2ccc(Cl)cc2Cl)c1	ZINC000834267277	605834946	/nfs/dbraw/zinc/83/49/46/605834946.db2.gz	VKRJNUIFTDCIKR-UHFFFAOYSA-N	-1	0	354.193	3.769	20	50		FHGDRM
Cc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)ccc1NC(=O)[O-]	ZINC000829962046	605876322	/nfs/dbraw/zinc/87/63/22/605876322.db2.gz	SPTDHUFCGQEPQI-UHFFFAOYSA-N	-1	0	353.300	3.861	20	50		FHGDRM
O=C([O-])c1cc(OC(=O)c2cccc(C(F)(F)F)c2F)ccc1[N+](=O)[O-]	ZINC000833300484	601157235	/nfs/dbraw/zinc/15/72/35/601157235.db2.gz	GMXXVPSGUUJLSY-UHFFFAOYSA-N	-1	0	373.214	3.670	20	50		FHGDRM
O=C([O-])c1ccc(CCC(=O)NNc2cc(Cl)ccc2Cl)cc1	ZINC000833101758	601758573	/nfs/dbraw/zinc/75/85/73/601758573.db2.gz	CRMBVMULILIOTC-UHFFFAOYSA-N	-1	0	353.205	3.768	20	50		FHGDRM
CN(NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)c1ccccc1	ZINC000830883197	602142280	/nfs/dbraw/zinc/14/22/80/602142280.db2.gz	LBGBTPZQMXXCEW-UHFFFAOYSA-N	-1	0	353.300	3.577	20	50		FHGDRM
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc3c2N(C(=O)[O-])CC3)c1C	ZINC000830510683	603809282	/nfs/dbraw/zinc/80/92/82/603809282.db2.gz	AQTFBTQCISSLLV-BOPFTXTBSA-N	-1	0	361.401	3.890	20	50		FHGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2c(Cl)cccc2Cl)cc1	ZINC000832841876	604431429	/nfs/dbraw/zinc/43/14/29/604431429.db2.gz	RFHLRZBCIDGXHP-UHFFFAOYSA-N	-1	0	354.193	3.769	20	50		FHGDRM
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2CC(=O)[O-])c(C)n1CCC(C)C	ZINC000832881938	604582676	/nfs/dbraw/zinc/58/26/76/604582676.db2.gz	WZBCCYQZAQBRPV-ZYNFKGNASA-N	-1	0	371.481	3.524	20	50		FHGDRM
C[C@@H](Oc1ccccc1Cl)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833543046	605247230	/nfs/dbraw/zinc/24/72/30/605247230.db2.gz	NOYSKWMAICEWKK-SECBINFHSA-N	-1	0	369.204	3.602	20	50		FHGDRM
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833539595	605721811	/nfs/dbraw/zinc/72/18/11/605721811.db2.gz	MSXYEGCAGUXUBH-SECBINFHSA-N	-1	0	369.204	3.602	20	50		FHGDRM
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833545409	605735211	/nfs/dbraw/zinc/73/52/11/605735211.db2.gz	HTGYTACVOZXPAL-JTQLQIEISA-N	-1	0	350.827	3.662	20	50		FHGDRM
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1Cl	ZINC000833521493	605743923	/nfs/dbraw/zinc/74/39/23/605743923.db2.gz	NUZTWVRHTUKLGM-VIFPVBQESA-N	-1	0	351.765	3.565	20	50		FHGDRM
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1csc2ccccc21	ZINC000833522200	605743983	/nfs/dbraw/zinc/74/39/83/605743983.db2.gz	YVKWJHUHEDUJTM-LLVKDONJSA-N	-1	0	355.419	3.987	20	50		FHGDRM
O=C([O-])N1CCC2(CCN(C(=O)CCCC[C@H]3CCSS3)C2)CC1	ZINC000834088963	605871243	/nfs/dbraw/zinc/87/12/43/605871243.db2.gz	SQYDYUPRRUTEGY-AWEZNQCLSA-N	-1	0	372.556	3.693	20	50		FHGDRM
Cc1cc(C(=O)NNc2ccc(Br)cc2)ccc1NC(=O)[O-]	ZINC000829961236	605876657	/nfs/dbraw/zinc/87/66/57/605876657.db2.gz	DIMAWRCZJQWSRN-UHFFFAOYSA-N	-1	0	364.199	3.604	20	50		FHGDRM
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC(CC)(CC)C(=O)[O-])c1C	ZINC000829448038	600977656	/nfs/dbraw/zinc/97/76/56/600977656.db2.gz	VXIQLXAVPDOTSJ-ATVHPVEESA-N	-1	0	359.470	3.572	20	50		FHGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000833062529	601789642	/nfs/dbraw/zinc/78/96/42/601789642.db2.gz	COLAAUSFGFDXRC-YCRREMRBSA-N	-1	0	350.161	3.565	20	50		FHGDRM
C[C@H](NC(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2)c1ccccc1	ZINC000825067885	603808534	/nfs/dbraw/zinc/80/85/34/603808534.db2.gz	WXTDGLUOKOCXQX-QCUKBLKESA-N	-1	0	361.401	3.511	20	50		FHGDRM
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OCC(=O)[O-])cc2)c1C	ZINC000833380131	605145737	/nfs/dbraw/zinc/14/57/37/605145737.db2.gz	VGCCVFBUMNPIMY-BOPFTXTBSA-N	-1	0	364.401	3.544	20	50		FHGDRM
CC(C)(C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1F	ZINC000833412147	605244963	/nfs/dbraw/zinc/24/49/63/605244963.db2.gz	ZHXWMWDQOKZKTH-UHFFFAOYSA-N	-1	0	350.777	3.598	20	50		FHGDRM
CC(C)Oc1cccc(CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000833506757	605247341	/nfs/dbraw/zinc/24/73/41/605247341.db2.gz	KIATVLFGLSZGFX-UHFFFAOYSA-N	-1	0	362.813	3.511	20	50		FHGDRM
CCc1ccc(C(=O)CCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000833670547	605247958	/nfs/dbraw/zinc/24/79/58/605247958.db2.gz	ZHVISDJAIRFAEA-UHFFFAOYSA-N	-1	0	374.824	3.707	20	50		FHGDRM
C/C(=C/C(=O)NNc1ccccc1C(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000833382662	605281894	/nfs/dbraw/zinc/28/18/94/605281894.db2.gz	PHROGQSWIUHQCZ-LUAWRHEFSA-N	-1	0	364.323	3.950	20	50		FHGDRM
CC(C)(C)c1ccc2cc(C(=O)NNc3cccc(C(=O)[O-])c3)[nH]c2c1	ZINC000833450003	605734805	/nfs/dbraw/zinc/73/48/05/605734805.db2.gz	UVNCGTHMZSMZHX-UHFFFAOYSA-N	-1	0	351.406	3.921	20	50		FHGDRM
CC(C)(C)OCc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)c1	ZINC000833446215	605743093	/nfs/dbraw/zinc/74/30/93/605743093.db2.gz	YZGSJMGCUCNGTD-UHFFFAOYSA-N	-1	0	371.437	3.526	20	50		FHGDRM
O=C([O-])[C@@H](NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1	ZINC000833149639	601457606	/nfs/dbraw/zinc/45/76/06/601457606.db2.gz	XMUVMWMUPABHII-KRWDZBQOSA-N	-1	0	370.405	3.615	20	50		FHGDRM
O=C([O-])[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1F	ZINC000833097414	601738475	/nfs/dbraw/zinc/73/84/75/601738475.db2.gz	LFPSXNZUZBFHIJ-IAQYHMDHSA-N	-1	0	357.472	3.782	20	50		FHGDRM
O=C([O-])[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccc1F	ZINC000833097416	601738500	/nfs/dbraw/zinc/73/85/00/601738500.db2.gz	LFPSXNZUZBFHIJ-NHYWBVRUSA-N	-1	0	357.472	3.782	20	50		FHGDRM
O=C([O-])[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccc1F	ZINC000833097418	601738550	/nfs/dbraw/zinc/73/85/50/601738550.db2.gz	LFPSXNZUZBFHIJ-XHDPSFHLSA-N	-1	0	357.472	3.782	20	50		FHGDRM
O=C([O-])Nc1cc(C(=O)NNc2ccc(Cl)nc2)cc(C(F)(F)F)c1	ZINC000833282241	602142805	/nfs/dbraw/zinc/14/28/05/602142805.db2.gz	VZDQBKCFBLBOBB-UHFFFAOYSA-N	-1	0	374.706	3.601	20	50		FHGDRM
C[C@@H](NC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2)c1ccccc1	ZINC000825067884	603808355	/nfs/dbraw/zinc/80/83/55/603808355.db2.gz	WXTDGLUOKOCXQX-IIMQCXAKSA-N	-1	0	361.401	3.511	20	50		FHGDRM
N#C/C(=C\c1cccc2c1N(C(=O)[O-])CC2)c1nc(-c2ccccc2)no1	ZINC000831064549	603810458	/nfs/dbraw/zinc/81/04/58/603810458.db2.gz	IZPSKXSJEJZFIU-LFIBNONCSA-N	-1	0	358.357	3.841	20	50		FHGDRM
CCc1ccc([C@H](C)CC(=O)NNc2ccc(C(=O)[O-])cc2OC)cc1	ZINC000833670054	604647793	/nfs/dbraw/zinc/64/77/93/604647793.db2.gz	JAMDRPDETMZTES-CYBMUJFWSA-N	-1	0	356.422	3.593	20	50		FHGDRM
O=C([O-])NNC(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1	ZINC000833281405	604852345	/nfs/dbraw/zinc/85/23/45/604852345.db2.gz	ZGSODHHZOYDRBO-UHFFFAOYSA-N	-1	0	362.798	3.921	20	50		FHGDRM
CCCc1c(C(=O)NNc2cccc3c2CCCC3)[nH]c(C)c1C(=O)[O-]	ZINC000833653315	604939560	/nfs/dbraw/zinc/93/95/60/604939560.db2.gz	QFEVKMBXSJWVQU-UHFFFAOYSA-N	-1	0	355.438	3.610	20	50		FHGDRM
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)o1	ZINC000833603677	605248817	/nfs/dbraw/zinc/24/88/17/605248817.db2.gz	GVVCLYWAZPJAKE-IINYFYTJSA-N	-1	0	362.813	3.831	20	50		FHGDRM
COc1c(Cl)cc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1Cl	ZINC000833727217	605712214	/nfs/dbraw/zinc/71/22/14/605712214.db2.gz	QGTBABYMGIDNLW-UHFFFAOYSA-N	-1	0	370.192	3.849	20	50		FHGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1c(Cl)cccc1Cl	ZINC000834275017	606072287	/nfs/dbraw/zinc/07/22/87/606072287.db2.gz	WZQROLXLOPAFHI-UHFFFAOYSA-N	-1	0	354.193	3.769	20	50		FHGDRM
O=C([O-])[C@@H](NNC(=O)c1cccc2ccccc21)c1cccc(Cl)c1	ZINC000833149092	600753283	/nfs/dbraw/zinc/75/32/83/600753283.db2.gz	DLNUMQIXAWJTGY-KRWDZBQOSA-N	-1	0	354.793	3.554	20	50		FHGDRM
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@](C)(CC)CC(=O)[O-])c1C	ZINC000829447738	601133495	/nfs/dbraw/zinc/13/34/95/601133495.db2.gz	QPJKQROFPMGSRX-ZZODWALSSA-N	-1	0	359.470	3.572	20	50		FHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1c(Cl)cccc1Cl	ZINC000833064999	601331146	/nfs/dbraw/zinc/33/11/46/601331146.db2.gz	ZBYMOALQANUNIW-VURMDHGXSA-N	-1	0	350.161	3.565	20	50		FHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000833062540	601331149	/nfs/dbraw/zinc/33/11/49/601331149.db2.gz	CRHGXMMTZFVBAQ-FPYGCLRLSA-N	-1	0	350.161	3.565	20	50		FHGDRM
O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CCCC[C@H]1CCSS1	ZINC000833193582	601490767	/nfs/dbraw/zinc/49/07/67/601490767.db2.gz	CPWTZKZBYWOQPD-WMLDXEAASA-N	-1	0	365.520	3.911	20	50		FHGDRM
Cc1cc(/C=C(\C#N)C(=O)NCC(C)(C)C(=O)[O-])c(C)n1C1CCCCC1	ZINC000832880774	601712784	/nfs/dbraw/zinc/71/27/84/601712784.db2.gz	GYTYJADCMYOHNB-GZTJUZNOSA-N	-1	0	371.481	3.744	20	50		FHGDRM
N#C/C(=C\c1cccc2c1N(C(=O)[O-])CC2)C(=O)c1c[nH]c2ccccc12	ZINC000831066268	603810262	/nfs/dbraw/zinc/81/02/62/603810262.db2.gz	VSQWFVJPBBWVQB-XNTDXEJSSA-N	-1	0	357.369	3.998	20	50		FHGDRM
CC(C)(C(=O)[O-])[C@@H](NC(=O)NNc1ccccc1Cl)c1ccccc1	ZINC000826103903	604517798	/nfs/dbraw/zinc/51/77/98/604517798.db2.gz	XTWQMZDSHHWIGT-HNNXBMFYSA-N	-1	0	361.829	3.818	20	50		FHGDRM
C[C@H](Sc1ccccc1C(=O)NNc1ccccc1Cl)C(=O)[O-]	ZINC000833546940	604937693	/nfs/dbraw/zinc/93/76/93/604937693.db2.gz	ZDHPYDPORDNESI-JTQLQIEISA-N	-1	0	350.827	3.662	20	50		FHGDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cc2c(s1)CCCCCC2	ZINC000833406537	605039173	/nfs/dbraw/zinc/03/91/73/605039173.db2.gz	NNTRUCMEXDUUFC-ZDUSSCGKSA-N	-1	0	373.478	3.618	20	50		FHGDRM
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OCC(=O)[O-])cc2)c1C	ZINC000833653228	605146493	/nfs/dbraw/zinc/14/64/93/605146493.db2.gz	WLABAQDLFLIWKF-BOPFTXTBSA-N	-1	0	366.417	3.768	20	50		FHGDRM
CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cc1	ZINC000833664181	605318863	/nfs/dbraw/zinc/31/88/63/605318863.db2.gz	QMAHCMRYCJUKHF-LCYFTJDESA-N	-1	0	369.352	3.860	20	50		FHGDRM
O=C([O-])Nc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	ZINC000834255733	605427060	/nfs/dbraw/zinc/42/70/60/605427060.db2.gz	IURWUGIBKUWIEX-UHFFFAOYSA-N	-1	0	358.156	3.979	20	50		FHGDRM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CCCC[C@@H]3CCSS3)C[C@@H]21	ZINC000834176462	605581091	/nfs/dbraw/zinc/58/10/91/605581091.db2.gz	PMVIJLFKZWHWDT-APIJFGDWSA-N	-1	0	372.556	3.595	20	50		FHGDRM
CC(C)(C)c1ccc(NNC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1	ZINC000833448915	605706878	/nfs/dbraw/zinc/70/68/78/605706878.db2.gz	KCHOMZGYZVFJRF-UHFFFAOYSA-N	-1	0	357.410	3.596	20	50		FHGDRM
C[C@H](CC#N)Sc1ccccc1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833516473	605711190	/nfs/dbraw/zinc/71/11/90/605711190.db2.gz	XRLSOJNDLXPASL-GFCCVEGCSA-N	-1	0	370.434	3.928	20	50		FHGDRM
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833539596	605721984	/nfs/dbraw/zinc/72/19/84/605721984.db2.gz	MSXYEGCAGUXUBH-VIFPVBQESA-N	-1	0	369.204	3.602	20	50		FHGDRM
COc1ccc2sc(C(=O)NNc3cccc(C(=O)[O-])c3)c(C)c2c1	ZINC000833735139	605734131	/nfs/dbraw/zinc/73/41/31/605734131.db2.gz	RMEUXXPQNCJLSG-UHFFFAOYSA-N	-1	0	356.403	3.673	20	50		FHGDRM
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833538457	605735583	/nfs/dbraw/zinc/73/55/83/605735583.db2.gz	GACUXUNRBNSVOU-VIFPVBQESA-N	-1	0	369.204	3.602	20	50		FHGDRM
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1	ZINC000833520692	605739214	/nfs/dbraw/zinc/73/92/14/605739214.db2.gz	GVUHHBJCVVKJQZ-SNVBAGLBSA-N	-1	0	367.327	3.791	20	50		FHGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2ccnc3cc(Cl)ccc32)c1	ZINC000834266867	605844936	/nfs/dbraw/zinc/84/49/36/605844936.db2.gz	LDFZBHDWZSEKJE-UHFFFAOYSA-N	-1	0	370.796	3.664	20	50		FHGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1ccnc2cc(Cl)ccc21	ZINC000834272008	606098283	/nfs/dbraw/zinc/09/82/83/606098283.db2.gz	JAPXSTCCKHBKTP-UHFFFAOYSA-N	-1	0	370.796	3.664	20	50		FHGDRM
O=C([O-])[C@@H](NNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl	ZINC000833149221	600733562	/nfs/dbraw/zinc/73/35/62/600733562.db2.gz	ILNKIGAVXXNVSG-ZDUSSCGKSA-N	-1	0	373.623	3.707	20	50		FHGDRM
C[C@@H](CCc1cccc(F)c1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000827427742	600973282	/nfs/dbraw/zinc/97/32/82/600973282.db2.gz	MQKXELYCAKNNFP-NSHDSACASA-N	-1	0	361.325	3.606	20	50		FHGDRM
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000829009540	600973666	/nfs/dbraw/zinc/97/36/66/600973666.db2.gz	GHNACARPUOBXMF-WQGACYEGSA-N	-1	0	365.382	3.572	20	50		FHGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1ccc(SC(F)F)cc1	ZINC000833064571	601789526	/nfs/dbraw/zinc/78/95/26/601789526.db2.gz	SORGWIUBXCJOGZ-YHYXMXQVSA-N	-1	0	363.345	3.573	20	50		FHGDRM
C[C@@]1(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCc2ccccc2C1	ZINC000833553342	605247690	/nfs/dbraw/zinc/24/76/90/605247690.db2.gz	TWIFKNSGOWEPFN-LJQANCHMSA-N	-1	0	358.825	3.677	20	50		FHGDRM
CC[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(OC)cc1	ZINC000833635954	605249060	/nfs/dbraw/zinc/24/90/60/605249060.db2.gz	CPVDDJNFJPERJF-AWEZNQCLSA-N	-1	0	362.813	3.684	20	50		FHGDRM
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833539197	605257591	/nfs/dbraw/zinc/25/75/91/605257591.db2.gz	LRDOCBABUSYYJN-SECBINFHSA-N	-1	0	369.204	3.602	20	50		FHGDRM
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1	ZINC000833449750	605710829	/nfs/dbraw/zinc/71/08/29/605710829.db2.gz	ZRFDRHDMKHXRAN-UHFFFAOYSA-N	-1	0	371.437	3.986	20	50		FHGDRM
CC(C)Cn1cc(C(=O)NNc2cccc(C(=O)[O-])c2)c2ccccc21	ZINC000833492905	605732609	/nfs/dbraw/zinc/73/26/09/605732609.db2.gz	ADBMVAGHWJPOPA-UHFFFAOYSA-N	-1	0	351.406	3.752	20	50		FHGDRM
C[C@@H](Sc1nc2ccccc2s1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833545412	605735203	/nfs/dbraw/zinc/73/52/03/605735203.db2.gz	RENPJOUVILENGP-SNVBAGLBSA-N	-1	0	373.459	3.618	20	50		FHGDRM
C[C@H](Sc1ccccc1Cl)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833545015	605737783	/nfs/dbraw/zinc/73/77/83/605737783.db2.gz	MMGBBOUTOKWTJD-JTQLQIEISA-N	-1	0	350.827	3.662	20	50		FHGDRM
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)c(Cl)c1	ZINC000833521721	605741510	/nfs/dbraw/zinc/74/15/10/605741510.db2.gz	RKCUFBXTNHLTRX-VIFPVBQESA-N	-1	0	351.765	3.565	20	50		FHGDRM
O=C([O-])[C@H](NNC(=O)c1cccc2ccccc21)c1cccc(Cl)c1	ZINC000833149093	600753363	/nfs/dbraw/zinc/75/33/63/600753363.db2.gz	DLNUMQIXAWJTGY-QGZVFWFLSA-N	-1	0	354.793	3.554	20	50		FHGDRM
Cc1cc(/C=C(/C#N)C(=O)NC2(CC(=O)[O-])CCC2)c(C)n1CCC(C)C	ZINC000832881750	601452680	/nfs/dbraw/zinc/45/26/80/601452680.db2.gz	VCCVYJVBLBSWOQ-WQRHYEAKSA-N	-1	0	371.481	3.572	20	50		FHGDRM
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(CCC(=O)[O-])CC2)c1C	ZINC000829579748	601819862	/nfs/dbraw/zinc/81/98/62/601819862.db2.gz	LCTISXWIQFSMCB-CPNJWEJPSA-N	-1	0	371.481	3.525	20	50		FHGDRM
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(CCC(=O)[O-])CC2)c1C	ZINC000829579750	601819887	/nfs/dbraw/zinc/81/98/87/601819887.db2.gz	LCTISXWIQFSMCB-UYRXBGFRSA-N	-1	0	371.481	3.525	20	50		FHGDRM
O=C([O-])Nc1cc(C(=O)NNc2ncccc2Cl)cc(C(F)(F)F)c1	ZINC000833281193	602142889	/nfs/dbraw/zinc/14/28/89/602142889.db2.gz	HFWHPUYFPCUJLK-UHFFFAOYSA-N	-1	0	374.706	3.601	20	50		FHGDRM
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1C	ZINC000829580545	602394133	/nfs/dbraw/zinc/39/41/33/602394133.db2.gz	YXMPSVUNFLYVDP-DHDCSXOGSA-N	-1	0	369.396	3.898	20	50		FHGDRM
CC(C)(C)c1ncc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)s1	ZINC000833450857	605245607	/nfs/dbraw/zinc/24/56/07/605245607.db2.gz	MXZUNPJEHYKOLC-UHFFFAOYSA-N	-1	0	353.831	3.549	20	50		FHGDRM
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833538854	605247175	/nfs/dbraw/zinc/24/71/75/605247175.db2.gz	AIXNDZYERKVABJ-SECBINFHSA-N	-1	0	369.204	3.602	20	50		FHGDRM
CCC(CC)n1nc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1C	ZINC000833641609	605247783	/nfs/dbraw/zinc/24/77/83/605247783.db2.gz	IWVYFPWJDJCDHX-UHFFFAOYSA-N	-1	0	364.833	3.661	20	50		FHGDRM
Cc1cccc(C2(C(=O)NNc3ccc(C(=O)[O-])c(Cl)c3)CCC2)c1	ZINC000833752675	605248352	/nfs/dbraw/zinc/24/83/52/605248352.db2.gz	RDEBOUYYYYOUNL-UHFFFAOYSA-N	-1	0	358.825	3.912	20	50		FHGDRM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CCCC[C@H]3CCSS3)C[C@H]21	ZINC000834176472	605580800	/nfs/dbraw/zinc/58/08/00/605580800.db2.gz	PMVIJLFKZWHWDT-LXTVHRRPSA-N	-1	0	372.556	3.595	20	50		FHGDRM
C[C@@H](CC#N)Sc1ccccc1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833516474	605711482	/nfs/dbraw/zinc/71/14/82/605711482.db2.gz	XRLSOJNDLXPASL-LBPRGKRZSA-N	-1	0	370.434	3.928	20	50		FHGDRM
C[C@@H](Sc1nc2ccccc2s1)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833544998	605723879	/nfs/dbraw/zinc/72/38/79/605723879.db2.gz	LVRIELWEJZIIHV-SNVBAGLBSA-N	-1	0	373.459	3.618	20	50		FHGDRM
Cc1cc(C(=O)NNc2cccc(C(=O)[O-])c2)c(C)n1-c1ccccc1C	ZINC000833753621	605731582	/nfs/dbraw/zinc/73/15/82/605731582.db2.gz	XWHMTFLXGZMEMA-UHFFFAOYSA-N	-1	0	363.417	3.858	20	50		FHGDRM
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1	ZINC000833520689	605739156	/nfs/dbraw/zinc/73/91/56/605739156.db2.gz	GVUHHBJCVVKJQZ-JTQLQIEISA-N	-1	0	367.327	3.791	20	50		FHGDRM
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1Cl	ZINC000833521492	605743649	/nfs/dbraw/zinc/74/36/49/605743649.db2.gz	NUZTWVRHTUKLGM-SECBINFHSA-N	-1	0	351.765	3.565	20	50		FHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000833063409	601444899	/nfs/dbraw/zinc/44/48/99/601444899.db2.gz	JSHKWEPNVVBRQI-YVMONPNESA-N	-1	0	350.161	3.565	20	50		FHGDRM
CCc1[nH]c(C(=O)NNc2c(Cl)cccc2Cl)c(C)c1C(=O)[O-]	ZINC000830197318	602051083	/nfs/dbraw/zinc/05/10/83/602051083.db2.gz	SMWJPJPNTLGCRQ-UHFFFAOYSA-N	-1	0	356.209	3.647	20	50		FHGDRM
Cc1c(NC(=O)NNc2ccccc2C(F)(F)F)cccc1C(=O)[O-]	ZINC000833741519	604723428	/nfs/dbraw/zinc/72/34/28/604723428.db2.gz	AISSYRYUDZYMQO-UHFFFAOYSA-N	-1	0	353.300	3.861	20	50		FHGDRM
CC(C)=CCSc1ccccc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1	ZINC000833462346	604806757	/nfs/dbraw/zinc/80/67/57/604806757.db2.gz	JAIKFWQFSFXRBV-UHFFFAOYSA-N	-1	0	357.435	3.595	20	50		FHGDRM
O=C([O-])c1ccccc1NNC(=O)[C@@H](Oc1ccccc1)c1ccccc1	ZINC000833783675	605282756	/nfs/dbraw/zinc/28/27/56/605282756.db2.gz	BIMCYDNOPUCBSX-IBGZPJMESA-N	-1	0	362.385	3.648	20	50		FHGDRM
O=C([O-])Nc1ccc(C(=O)NN=c2ccc3ccccc3[nH]2)c(Cl)c1	ZINC000834258609	605323473	/nfs/dbraw/zinc/32/34/73/605323473.db2.gz	ZFYUCKASRJZAKK-UHFFFAOYSA-N	-1	0	356.769	3.735	20	50		FHGDRM
CC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CC[C@H]1NC(=O)[O-]	ZINC000833848529	605352581	/nfs/dbraw/zinc/35/25/81/605352581.db2.gz	NKIYRRKVSSEFGQ-HZSPNIEDSA-N	-1	0	360.545	3.595	20	50		FHGDRM
Cc1cc(C(=O)NNc2cccc(C(=O)[O-])c2)c(C)n1-c1cccc(C)c1	ZINC000833751927	605733852	/nfs/dbraw/zinc/73/38/52/605733852.db2.gz	ADJKBLFLANVXAX-UHFFFAOYSA-N	-1	0	363.417	3.858	20	50		FHGDRM
O=C([O-])c1cccc(NNC(=O)CCc2cccc(OC3CCCC3)c2)c1	ZINC000833763849	605736152	/nfs/dbraw/zinc/73/61/52/605736152.db2.gz	KCMKWWKWQQLMQX-UHFFFAOYSA-N	-1	0	368.433	3.782	20	50		FHGDRM
CC(C)Oc1cccc([C@@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)c1	ZINC000833506597	605740579	/nfs/dbraw/zinc/74/05/79/605740579.db2.gz	GJJBDQOLOXLIOK-CYBMUJFWSA-N	-1	0	357.410	3.559	20	50		FHGDRM
Cc1ccc2c(CCC(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c[nH]c2c1	ZINC000832960108	600818356	/nfs/dbraw/zinc/81/83/56/600818356.db2.gz	MJTZGARBXLWFRJ-UHFFFAOYSA-N	-1	0	368.345	3.621	20	50		FHGDRM
O=C([O-])Nc1ccccc1OS(=O)(=O)c1ccc(CCCCl)cc1	ZINC000833291168	601226147	/nfs/dbraw/zinc/22/61/47/601226147.db2.gz	LIWUDWSULSCGEF-UHFFFAOYSA-N	-1	0	369.826	3.716	20	50		FHGDRM
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cc(C(=O)[O-])oc2CC)cc1	ZINC000830063666	601460077	/nfs/dbraw/zinc/46/00/77/601460077.db2.gz	HFQNZSOIXCYWEV-ZROIWOOFSA-N	-1	0	369.373	3.589	20	50		FHGDRM
Cc1ccccc1CC(=O)NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000832977491	601958002	/nfs/dbraw/zinc/95/80/02/601958002.db2.gz	LGPFAWJDQUBUNO-UHFFFAOYSA-N	-1	0	362.385	3.646	20	50		FHGDRM
O=C([O-])[C@H](NNC(=O)c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1	ZINC000833149094	601971816	/nfs/dbraw/zinc/97/18/16/601971816.db2.gz	DQVDEDQCZZVGIE-CYBMUJFWSA-N	-1	0	373.623	3.707	20	50		FHGDRM
CCOc1ccc(C=C(C#N)C(=O)Oc2cccc(NC(=O)[O-])c2)cc1	ZINC000827427918	603477961	/nfs/dbraw/zinc/47/79/61/603477961.db2.gz	ONBGHQIOCSHSMU-UVTDQMKNSA-N	-1	0	352.346	3.688	20	50		FHGDRM
C[C@@H](NC(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2)c1ccccc1	ZINC000825067851	603808537	/nfs/dbraw/zinc/80/85/37/603808537.db2.gz	WXTDGLUOKOCXQX-CRRKTRLDSA-N	-1	0	361.401	3.511	20	50		FHGDRM
C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	ZINC000825210159	604261149	/nfs/dbraw/zinc/26/11/49/604261149.db2.gz	ILDCFEAVLUXSMV-MELADBBJSA-N	-1	0	360.545	3.595	20	50		FHGDRM
O=C([O-])Nc1cc(C(=O)NNc2c(Cl)cccc2Cl)ccc1F	ZINC000832820589	604433201	/nfs/dbraw/zinc/43/32/01/604433201.db2.gz	HTWAKLZWUAQLPX-UHFFFAOYSA-N	-1	0	358.156	3.979	20	50		FHGDRM
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1	ZINC000832540610	604553768	/nfs/dbraw/zinc/55/37/68/604553768.db2.gz	REXTXIPTMZKAHN-UGMNDJHYSA-N	-1	0	355.346	3.506	20	50		FHGDRM
CN(C(=O)[O-])c1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1	ZINC000833685046	604730714	/nfs/dbraw/zinc/73/07/14/604730714.db2.gz	BWUQYBDZRJJRNM-UHFFFAOYSA-N	-1	0	368.315	3.968	20	50		FHGDRM
CN(C(=O)[O-])c1ccc(NC(=O)NN=c2[nH]c3ccccc3s2)cc1	ZINC000833685160	604730962	/nfs/dbraw/zinc/73/09/62/604730962.db2.gz	GHCCVPAUFDJHGA-UHFFFAOYSA-N	-1	0	357.395	3.559	20	50		FHGDRM
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccccc3C(=O)[O-])o2)cc1	ZINC000833400695	605260103	/nfs/dbraw/zinc/26/01/03/605260103.db2.gz	KMCPALBONCYUMC-UHFFFAOYSA-N	-1	0	364.357	3.604	20	50		FHGDRM
C[C@H](Sc1ccccc1Cl)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833545286	605260407	/nfs/dbraw/zinc/26/04/07/605260407.db2.gz	PPCUDCOWTMVVAX-JTQLQIEISA-N	-1	0	350.827	3.662	20	50		FHGDRM
O=C([O-])c1ccccc1NNC(=O)[C@H](OC1CCCC1)c1ccccc1	ZINC000833783727	605722487	/nfs/dbraw/zinc/72/24/87/605722487.db2.gz	HHXOPPSABHUKCY-GOSISDBHSA-N	-1	0	354.406	3.528	20	50		FHGDRM
C[C@H]1CCc2[nH]c3ccc(C(=O)NNc4cccc(C(=O)[O-])c4)cc3c2C1	ZINC000833616528	605730929	/nfs/dbraw/zinc/73/09/29/605730929.db2.gz	CARJYEXOYYXFCR-LBPRGKRZSA-N	-1	0	363.417	3.748	20	50		FHGDRM
CC(C)(C)c1ccc(NNC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1	ZINC000833449123	605742795	/nfs/dbraw/zinc/74/27/95/605742795.db2.gz	MTUJGVDZJVAKBG-UHFFFAOYSA-N	-1	0	370.453	3.943	20	50		FHGDRM
CCOc1ccc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])ccc2F)cc1	ZINC000833664322	605811803	/nfs/dbraw/zinc/81/18/03/605811803.db2.gz	SBHPFHHFJRMLKC-OQLLNIDSSA-N	-1	0	369.348	3.573	20	50		FHGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2cc(Cl)ccc2Cl)c1	ZINC000834266995	605834787	/nfs/dbraw/zinc/83/47/87/605834787.db2.gz	NDXMSTRXZKDQHT-UHFFFAOYSA-N	-1	0	354.193	3.769	20	50		FHGDRM
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@](C)(CC)CC(=O)[O-])c1C	ZINC000829447734	601133542	/nfs/dbraw/zinc/13/35/42/601133542.db2.gz	QPJKQROFPMGSRX-FVECTHPASA-N	-1	0	359.470	3.572	20	50		FHGDRM
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(C(=O)[O-])[nH]3)n2)cc1	ZINC000832124562	601331694	/nfs/dbraw/zinc/33/16/94/601331694.db2.gz	SOYOAEFPHJXNCC-WQLSENKSSA-N	-1	0	351.387	3.909	20	50		FHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000833063408	601444785	/nfs/dbraw/zinc/44/47/85/601444785.db2.gz	JSHKWEPNVVBRQI-VMPITWQZSA-N	-1	0	350.161	3.565	20	50		FHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1ccc(SC(F)F)cc1	ZINC000833064440	601444916	/nfs/dbraw/zinc/44/49/16/601444916.db2.gz	RWMYEVOTHOBGGU-CLFYSBASSA-N	-1	0	363.345	3.573	20	50		FHGDRM
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)[O-])s2)c1C	ZINC000829579799	601999444	/nfs/dbraw/zinc/99/94/44/601999444.db2.gz	LNXGCRGLGHAIPE-OQLLNIDSSA-N	-1	0	372.446	3.925	20	50		FHGDRM
Cc1ccc(F)c(NNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)c1	ZINC000832935924	602144302	/nfs/dbraw/zinc/14/43/02/602144302.db2.gz	PJJUALGPTLUQDD-UHFFFAOYSA-N	-1	0	371.290	4.000	20	50		FHGDRM
C[C@H](NC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2)c1ccccc1	ZINC000825067883	603808527	/nfs/dbraw/zinc/80/85/27/603808527.db2.gz	WXTDGLUOKOCXQX-HIXWQLQUSA-N	-1	0	361.401	3.511	20	50		FHGDRM
O=C([O-])NCc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1	ZINC000832701689	603839866	/nfs/dbraw/zinc/83/98/66/603839866.db2.gz	FCRVXKJEKFIOAR-UHFFFAOYSA-N	-1	0	354.193	3.518	20	50		FHGDRM
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1	ZINC000832273726	604548289	/nfs/dbraw/zinc/54/82/89/604548289.db2.gz	VBMFDECATQXTFN-CJAAZZPWSA-N	-1	0	355.346	3.506	20	50		FHGDRM
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1	ZINC000830064504	604552969	/nfs/dbraw/zinc/55/29/69/604552969.db2.gz	SWSKOLSYKVXJBN-LERPTODRSA-N	-1	0	369.373	3.896	20	50		FHGDRM
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C(=O)[O-])cc2F)cc1	ZINC000833662837	604695037	/nfs/dbraw/zinc/69/50/37/604695037.db2.gz	CVAOXZOAURNNDI-SXGWCWSVSA-N	-1	0	369.348	3.573	20	50		FHGDRM
O=C([O-])Cc1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1	ZINC000833775252	604731471	/nfs/dbraw/zinc/73/14/71/604731471.db2.gz	FDABXDGNFYNYRM-UHFFFAOYSA-N	-1	0	354.193	3.769	20	50		FHGDRM
CC(C)(C)[C@H]1CCc2sc(C(=O)NNc3ccc(C(=O)[O-])cn3)cc2C1	ZINC000833427018	604804584	/nfs/dbraw/zinc/80/45/84/604804584.db2.gz	XNZNXEDTEYDWLS-ZDUSSCGKSA-N	-1	0	373.478	3.749	20	50		FHGDRM
Cc1cccc2sc(C(=O)NNc3ccc(C(=O)[O-])cn3)c(Cl)c21	ZINC000833753639	604805994	/nfs/dbraw/zinc/80/59/94/604805994.db2.gz	YVOKIIHWHFZIEX-UHFFFAOYSA-N	-1	0	361.810	3.713	20	50		FHGDRM
CCc1[nH]c(C(=O)NNc2ccc(Cl)cc2Cl)c(C)c1C(=O)[O-]	ZINC000833666862	604935542	/nfs/dbraw/zinc/93/55/42/604935542.db2.gz	BAIYFLCTXZCIHH-UHFFFAOYSA-N	-1	0	356.209	3.647	20	50		FHGDRM
CC(C)(C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(F)cc1	ZINC000833411525	605246448	/nfs/dbraw/zinc/24/64/48/605246448.db2.gz	HYNOSADCZNQLQM-UHFFFAOYSA-N	-1	0	350.777	3.598	20	50		FHGDRM
C[C@@]1(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCCc2ccccc21	ZINC000833553042	605247682	/nfs/dbraw/zinc/24/76/82/605247682.db2.gz	NTZZBNKVIQSXPG-LJQANCHMSA-N	-1	0	358.825	3.776	20	50		FHGDRM
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833541277	605258804	/nfs/dbraw/zinc/25/88/04/605258804.db2.gz	RVBCCWFSQWYQFN-SECBINFHSA-N	-1	0	369.204	3.602	20	50		FHGDRM
Cc1cc(C(=O)NNc2ccccc2C(=O)[O-])c(C)n1-c1ccccc1C	ZINC000833753347	605722528	/nfs/dbraw/zinc/72/25/28/605722528.db2.gz	QBLHVBXTPVROKF-UHFFFAOYSA-N	-1	0	363.417	3.858	20	50		FHGDRM
C/C(=C\C(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1C(F)(F)F	ZINC000833381625	605733970	/nfs/dbraw/zinc/73/39/70/605733970.db2.gz	IIAUZSXVIARQSL-PKNBQFBNSA-N	-1	0	364.323	3.950	20	50		FHGDRM
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1C(F)(F)F	ZINC000833522177	605741479	/nfs/dbraw/zinc/74/14/79/605741479.db2.gz	XVZRJEYYQISZLM-SNVBAGLBSA-N	-1	0	367.327	3.791	20	50		FHGDRM
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cc2ccccc2s1	ZINC000833522161	605743746	/nfs/dbraw/zinc/74/37/46/605743746.db2.gz	XHZNJNGKFJALKE-NSHDSACASA-N	-1	0	355.419	3.987	20	50		FHGDRM
COc1ccc(/C=C(/C#N)C(=O)OCc2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000833731907	605809362	/nfs/dbraw/zinc/80/93/62/605809362.db2.gz	FFTWGGHOPSUODB-ZSOIEALJSA-N	-1	0	371.776	3.697	20	50		FHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000833062538	601330957	/nfs/dbraw/zinc/33/09/57/601330957.db2.gz	CRHGXMMTZFVBAQ-BAQGIRSFSA-N	-1	0	350.161	3.565	20	50		FHGDRM
O=C([O-])c1cc(OC(=O)C2(Cc3ccccc3)CCC2)ccc1[N+](=O)[O-]	ZINC000833301278	601863571	/nfs/dbraw/zinc/86/35/71/601863571.db2.gz	UVAQGOYXJQZDDU-UHFFFAOYSA-N	-1	0	355.346	3.611	20	50		FHGDRM
Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Cl)cc1F	ZINC000832869840	602055359	/nfs/dbraw/zinc/05/53/59/602055359.db2.gz	QBCJIGRJTQQDML-UHFFFAOYSA-N	-1	0	353.689	3.613	20	50		FHGDRM
Cc1ccc(C(=O)NNc2ccc(Br)cc2)cc1NC(=O)[O-]	ZINC000830225152	603454629	/nfs/dbraw/zinc/45/46/29/603454629.db2.gz	GONFTBLMFMCIMS-UHFFFAOYSA-N	-1	0	364.199	3.604	20	50		FHGDRM
CN(C(=O)CCCC[C@@H]1CCSS1)C1CCC(NC(=O)[O-])CC1	ZINC000827753044	603486065	/nfs/dbraw/zinc/48/60/65/603486065.db2.gz	REQWJPOILUBPRK-JXQTWKCFSA-N	-1	0	360.545	3.738	20	50		FHGDRM
CC(C)(C(=O)[O-])[C@H](NC(=O)NNc1ccccc1Cl)c1ccccc1	ZINC000826103911	604517740	/nfs/dbraw/zinc/51/77/40/604517740.db2.gz	XTWQMZDSHHWIGT-OAHLLOKOSA-N	-1	0	361.829	3.818	20	50		FHGDRM
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1	ZINC000832540606	604553873	/nfs/dbraw/zinc/55/38/73/604553873.db2.gz	REXTXIPTMZKAHN-ACLQVGRQSA-N	-1	0	355.346	3.506	20	50		FHGDRM
O=C([O-])Nc1ccc(F)c(NC(=O)NN=c2[nH]c3ccccc3s2)c1	ZINC000834262548	605658141	/nfs/dbraw/zinc/65/81/41/605658141.db2.gz	UZKBXWFACXJTMQ-UHFFFAOYSA-N	-1	0	361.358	3.674	20	50		FHGDRM
C/C(=C\C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1OC(F)F	ZINC000833381649	605721142	/nfs/dbraw/zinc/72/11/42/605721142.db2.gz	IVSYJXQMNGJXBZ-ZHACJKMWSA-N	-1	0	362.332	3.533	20	50		FHGDRM
C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(Cl)s1	ZINC000826072651	601447561	/nfs/dbraw/zinc/44/75/61/601447561.db2.gz	ZDUXOLPYYFSBDY-ZETCQYMHSA-N	-1	0	355.755	3.717	20	50		FHGDRM
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000830064826	601717794	/nfs/dbraw/zinc/71/77/94/601717794.db2.gz	XHEFPTBYSLGYNZ-DHDCSXOGSA-N	-1	0	369.348	3.573	20	50		FHGDRM
O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	ZINC000832278688	603449494	/nfs/dbraw/zinc/44/94/94/603449494.db2.gz	OLKNHCGDACDOPE-SVRRBLITSA-N	-1	0	366.632	3.526	20	50		FHGDRM
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc3c2N(C(=O)[O-])CC3)c(C)c1	ZINC000830352177	603809153	/nfs/dbraw/zinc/80/91/53/603809153.db2.gz	CCYIXNZUDIECBK-GZTJUZNOSA-N	-1	0	361.401	3.890	20	50		FHGDRM
N#C/C(=C\c1cccc2c1N(C(=O)[O-])CC2)C(=O)Nc1ccccc1Cl	ZINC000831064050	603809563	/nfs/dbraw/zinc/80/95/63/603809563.db2.gz	BOWCUHOOWRSEKX-GXDHUFHOSA-N	-1	0	367.792	3.926	20	50		FHGDRM
CCc1[nH]c(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(C)c1C(=O)[O-]	ZINC000833667512	604510138	/nfs/dbraw/zinc/51/01/38/604510138.db2.gz	ILGOQIVGEDPVPG-UHFFFAOYSA-N	-1	0	374.199	3.787	20	50		FHGDRM
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1	ZINC000832273731	604548191	/nfs/dbraw/zinc/54/81/91/604548191.db2.gz	VBMFDECATQXTFN-ZMTLZGASSA-N	-1	0	355.346	3.506	20	50		FHGDRM
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1	ZINC000832273729	604548243	/nfs/dbraw/zinc/54/82/43/604548243.db2.gz	VBMFDECATQXTFN-OJLMPMFISA-N	-1	0	355.346	3.506	20	50		FHGDRM
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1	ZINC000832540608	604553830	/nfs/dbraw/zinc/55/38/30/604553830.db2.gz	REXTXIPTMZKAHN-QENILXLESA-N	-1	0	355.346	3.506	20	50		FHGDRM
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1	ZINC000832540612	604554496	/nfs/dbraw/zinc/55/44/96/604554496.db2.gz	REXTXIPTMZKAHN-ZBQKXELDSA-N	-1	0	355.346	3.506	20	50		FHGDRM
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)[O-])cc2F)cc1	ZINC000833662835	604695024	/nfs/dbraw/zinc/69/50/24/604695024.db2.gz	CVAOXZOAURNNDI-CXUHLZMHSA-N	-1	0	369.348	3.573	20	50		FHGDRM
CCC(CC)n1nc(C)cc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833642072	605246150	/nfs/dbraw/zinc/24/61/50/605246150.db2.gz	YDNOCMIEMUPYIX-UHFFFAOYSA-N	-1	0	364.833	3.661	20	50		FHGDRM
C[C@@H](SCc1ccccc1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833542464	605248846	/nfs/dbraw/zinc/24/88/46/605248846.db2.gz	IXFCETKMUFJCCZ-LLVKDONJSA-N	-1	0	364.854	3.803	20	50		FHGDRM
C[C@@H]1CCc2c(C(=O)NNc3ccc(C(=O)[O-])c(Cl)c3)csc2C1	ZINC000833616535	605249009	/nfs/dbraw/zinc/24/90/09/605249009.db2.gz	CHMGSOSBNCGVRB-SECBINFHSA-N	-1	0	364.854	3.981	20	50		FHGDRM
Cc1cc(C(=O)NNc2ccccc2C(=O)[O-])c(C)n1-c1cccc(C)c1	ZINC000833752479	605260907	/nfs/dbraw/zinc/26/09/07/605260907.db2.gz	VGZOQABWQZCPCE-UHFFFAOYSA-N	-1	0	363.417	3.858	20	50		FHGDRM
CC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CC[C@H]1NC(=O)[O-]	ZINC000833848531	605353137	/nfs/dbraw/zinc/35/31/37/605353137.db2.gz	NKIYRRKVSSEFGQ-MGPQQGTHSA-N	-1	0	360.545	3.595	20	50		FHGDRM
O=C([O-])c1ccccc1NNC(=O)[C@@H](OC1CCCC1)c1ccccc1	ZINC000833783728	605722731	/nfs/dbraw/zinc/72/27/31/605722731.db2.gz	HHXOPPSABHUKCY-SFHVURJKSA-N	-1	0	354.406	3.528	20	50		FHGDRM
C/C(=C/C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1	ZINC000833381106	605733845	/nfs/dbraw/zinc/73/38/45/605733845.db2.gz	AWOSUUHKIAKHAD-LUAWRHEFSA-N	-1	0	364.323	3.950	20	50		FHGDRM
O=C([O-])[C@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	ZINC000833149409	600733654	/nfs/dbraw/zinc/73/36/54/600733654.db2.gz	PRWLNMCVWGWFOU-CYBMUJFWSA-N	-1	0	373.623	3.707	20	50		FHGDRM
O=C([O-])[C@@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	ZINC000833149410	600733678	/nfs/dbraw/zinc/73/36/78/600733678.db2.gz	PRWLNMCVWGWFOU-ZDUSSCGKSA-N	-1	0	373.623	3.707	20	50		FHGDRM
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000829009537	600973651	/nfs/dbraw/zinc/97/36/51/600973651.db2.gz	GHNACARPUOBXMF-HSMVNMDESA-N	-1	0	365.382	3.572	20	50		FHGDRM
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1	ZINC000830064351	601460052	/nfs/dbraw/zinc/46/00/52/601460052.db2.gz	RGCHIPRWSLUBGP-GVIGZQTCSA-N	-1	0	355.346	3.588	20	50		FHGDRM
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1C	ZINC000829580546	602394158	/nfs/dbraw/zinc/39/41/58/602394158.db2.gz	YXMPSVUNFLYVDP-OQLLNIDSSA-N	-1	0	369.396	3.898	20	50		FHGDRM
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc3c2N(C(=O)[O-])CC3)c1C	ZINC000830510684	603809464	/nfs/dbraw/zinc/80/94/64/603809464.db2.gz	AQTFBTQCISSLLV-GZTJUZNOSA-N	-1	0	361.401	3.890	20	50		FHGDRM
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H]2CC(=O)[O-])c(C)n1CCC(C)C	ZINC000832881936	604582488	/nfs/dbraw/zinc/58/24/88/604582488.db2.gz	WZBCCYQZAQBRPV-MVDPLZLPSA-N	-1	0	371.481	3.524	20	50		FHGDRM
C[C@@H](Sc1ccccc1C(=O)NNc1ccccc1Cl)C(=O)[O-]	ZINC000833546942	604937809	/nfs/dbraw/zinc/93/78/09/604937809.db2.gz	ZDHPYDPORDNESI-SNVBAGLBSA-N	-1	0	350.827	3.662	20	50		FHGDRM
C[C@@H](Sc1ccccc1C(=O)NNc1cccc2c1CCCC2)C(=O)[O-]	ZINC000833545666	604939305	/nfs/dbraw/zinc/93/93/05/604939305.db2.gz	LTFRDNQVTRQQEZ-CYBMUJFWSA-N	-1	0	370.474	3.888	20	50		FHGDRM
C[C@@H](Sc1ccccc1C(=O)NN=c1ccc2ccccc2[nH]1)C(=O)[O-]	ZINC000833546720	605236373	/nfs/dbraw/zinc/23/63/73/605236373.db2.gz	UROXZNFSWGBSCL-GFCCVEGCSA-N	-1	0	367.430	3.557	20	50		FHGDRM
CCCc1c(C(=O)NN=c2[nH]c3ccccc3cc2C)[nH]c(C)c1C(=O)[O-]	ZINC000833653568	605236636	/nfs/dbraw/zinc/23/66/36/605236636.db2.gz	YOBOFUWGEFBMOK-UHFFFAOYSA-N	-1	0	366.421	3.587	20	50		FHGDRM
O=C([O-])c1ccc(NNC(=O)Cc2csc3ccccc23)cc1Cl	ZINC000833765279	605248278	/nfs/dbraw/zinc/24/82/78/605248278.db2.gz	FZMADRNJNBSWLN-UHFFFAOYSA-N	-1	0	360.822	3.939	20	50		FHGDRM
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)o1	ZINC000833603679	605248903	/nfs/dbraw/zinc/24/89/03/605248903.db2.gz	GVVCLYWAZPJAKE-YGRLFVJLSA-N	-1	0	362.813	3.831	20	50		FHGDRM
CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(OC)cc1	ZINC000833635956	605248982	/nfs/dbraw/zinc/24/89/82/605248982.db2.gz	CPVDDJNFJPERJF-CQSZACIVSA-N	-1	0	362.813	3.684	20	50		FHGDRM
CC(C)(C)C(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1	ZINC000833421906	605713058	/nfs/dbraw/zinc/71/30/58/605713058.db2.gz	LLWUJGVTSOUVKJ-UHFFFAOYSA-N	-1	0	355.394	3.762	20	50		FHGDRM
Cc1ccc(-c2nc(CC(=O)NNc3cccc(C(=O)[O-])c3)cs2)cc1	ZINC000833746500	605731757	/nfs/dbraw/zinc/73/17/57/605731757.db2.gz	IOLBQFVJTXZIGU-UHFFFAOYSA-N	-1	0	367.430	3.503	20	50		FHGDRM
C/C(=C\C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1	ZINC000833381107	605734140	/nfs/dbraw/zinc/73/41/40/605734140.db2.gz	AWOSUUHKIAKHAD-PKNBQFBNSA-N	-1	0	364.323	3.950	20	50		FHGDRM
CN(C(=O)CCCC[C@@H]1CCSS1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000833868661	605918050	/nfs/dbraw/zinc/91/80/50/605918050.db2.gz	FAUWYKHSVYNVDX-IZGVIRRGSA-N	-1	0	372.556	3.832	20	50		FHGDRM
CCOc1ccc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])sc2C)cc1	ZINC000830064364	601717802	/nfs/dbraw/zinc/71/78/02/601717802.db2.gz	RKRJQHKGSKYDQL-RIYZIHGNSA-N	-1	0	371.414	3.804	20	50		FHGDRM
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cc(C(=O)[O-])sc2C)cc1	ZINC000830064369	601717888	/nfs/dbraw/zinc/71/78/88/601717888.db2.gz	RKRJQHKGSKYDQL-ZSOIEALJSA-N	-1	0	371.414	3.804	20	50		FHGDRM
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1NC(=O)[O-]	ZINC000830225471	603454666	/nfs/dbraw/zinc/45/46/66/603454666.db2.gz	PGYPOGMVOILNMB-UHFFFAOYSA-N	-1	0	353.300	3.861	20	50		FHGDRM
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2	ZINC000830489427	603809518	/nfs/dbraw/zinc/80/95/18/603809518.db2.gz	XJHAPCIYZMYQPB-BOPFTXTBSA-N	-1	0	361.401	3.890	20	50		FHGDRM
N#C/C(=C/c1cccc2c1N(C(=O)[O-])CC2)C(=O)c1c[nH]c2ccccc12	ZINC000831066259	603810045	/nfs/dbraw/zinc/81/00/45/603810045.db2.gz	VSQWFVJPBBWVQB-GDNBJRDFSA-N	-1	0	357.369	3.998	20	50		FHGDRM
Cc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)ccc1NC(=O)[O-]	ZINC000829961235	605329805	/nfs/dbraw/zinc/32/98/05/605329805.db2.gz	DIJCIVNVMJALNP-UHFFFAOYSA-N	-1	0	369.299	3.740	20	50		FHGDRM
CC(C)(C)OCc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1	ZINC000833445952	605713129	/nfs/dbraw/zinc/71/31/29/605713129.db2.gz	UZZOMKSLPSLTCZ-UHFFFAOYSA-N	-1	0	357.410	3.849	20	50		FHGDRM
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833545729	605724105	/nfs/dbraw/zinc/72/41/05/605724105.db2.gz	MIRJBWYYONAKKI-JTQLQIEISA-N	-1	0	350.827	3.662	20	50		FHGDRM
Cc1ccccc1-c1nc(C(=O)NNc2cccc(C(=O)[O-])c2)cs1	ZINC000833753216	605736429	/nfs/dbraw/zinc/73/64/29/605736429.db2.gz	OPJJGEIFBDGJTL-UHFFFAOYSA-N	-1	0	353.403	3.574	20	50		FHGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	ZINC000834256213	606001915	/nfs/dbraw/zinc/00/19/15/606001915.db2.gz	PIGWBQIOMMPSOZ-UHFFFAOYSA-N	-1	0	371.290	3.620	20	50		FHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1ccc(SC(F)F)cc1	ZINC000833064499	601444790	/nfs/dbraw/zinc/44/47/90/601444790.db2.gz	RWMYEVOTHOBGGU-VQHVLOKHSA-N	-1	0	363.345	3.573	20	50		FHGDRM
Cc1cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])C2CC2)c(C)n1C1CCCCC1	ZINC000832881521	601636667	/nfs/dbraw/zinc/63/66/67/601636667.db2.gz	QYUGAEAVAZINGU-BOPFTXTBSA-N	-1	0	369.465	3.593	20	50		FHGDRM
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000830064831	601717860	/nfs/dbraw/zinc/71/78/60/601717860.db2.gz	XHEFPTBYSLGYNZ-OQLLNIDSSA-N	-1	0	369.348	3.573	20	50		FHGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2cc(Cl)ccc2Cl)cc1	ZINC000832841830	603839741	/nfs/dbraw/zinc/83/97/41/603839741.db2.gz	OOSZPQCEWCCPGM-UHFFFAOYSA-N	-1	0	354.193	3.769	20	50		FHGDRM
CC(C)(C)O[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1	ZINC000833446354	604475453	/nfs/dbraw/zinc/47/54/53/604475453.db2.gz	XCKWKNAVIZJKQJ-MRXNPFEDSA-N	-1	0	373.361	3.755	20	50		FHGDRM
C[C@@H](Sc1ccccc1C(=O)NNc1cccc2cnccc21)C(=O)[O-]	ZINC000833545366	604938916	/nfs/dbraw/zinc/93/89/16/604938916.db2.gz	HCYCZBVIOAMFDY-GFCCVEGCSA-N	-1	0	367.430	3.557	20	50		FHGDRM
CC(C)c1ccc(N2Cc3ccc(NC(=O)NNC(=O)[O-])cc3C2)cc1	ZINC000833510182	604990596	/nfs/dbraw/zinc/99/05/96/604990596.db2.gz	NZZVTBWEXAZZDK-UHFFFAOYSA-N	-1	0	354.410	3.634	20	50		FHGDRM
O=C([O-])Nc1cccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c1	ZINC000834263585	605426690	/nfs/dbraw/zinc/42/66/90/605426690.db2.gz	CBNJJLCCOTYVDL-UHFFFAOYSA-N	-1	0	358.156	3.979	20	50		FHGDRM
Cc1ccc(NC(=O)[O-])cc1NC(=O)NNc1ccc(F)c(F)c1F	ZINC000833906269	605659089	/nfs/dbraw/zinc/65/90/89/605659089.db2.gz	MKACYOZINNQXDN-UHFFFAOYSA-N	-1	0	354.288	3.651	20	50		FHGDRM
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1	ZINC000833449130	605706568	/nfs/dbraw/zinc/70/65/68/605706568.db2.gz	NHFQCQLQLPNQGN-UHFFFAOYSA-N	-1	0	357.410	3.596	20	50		FHGDRM
CC(C)Oc1c(Cl)cccc1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833504792	605711091	/nfs/dbraw/zinc/71/10/91/605711091.db2.gz	AOHWASDGSSOZMB-UHFFFAOYSA-N	-1	0	363.801	3.974	20	50		FHGDRM
Cc1nc(C2CCCCC2)sc1C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833755325	605722557	/nfs/dbraw/zinc/72/25/57/605722557.db2.gz	JFQFMSZQYLZIRG-UHFFFAOYSA-N	-1	0	359.451	3.954	20	50		FHGDRM
CC(C)(C)c1ccc2cc(C(=O)NNc3ccccc3C(=O)[O-])[nH]c2c1	ZINC000833449980	605723350	/nfs/dbraw/zinc/72/33/50/605723350.db2.gz	STGDCLDECXVJRO-UHFFFAOYSA-N	-1	0	351.406	3.921	20	50		FHGDRM
C[C@H](Sc1nc2ccccc2s1)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833544997	605723938	/nfs/dbraw/zinc/72/39/38/605723938.db2.gz	LVRIELWEJZIIHV-JTQLQIEISA-N	-1	0	373.459	3.618	20	50		FHGDRM
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1c(F)cccc1Cl	ZINC000833521967	605746044	/nfs/dbraw/zinc/74/60/44/605746044.db2.gz	VAERLVVDJVNAQL-VIFPVBQESA-N	-1	0	351.765	3.565	20	50		FHGDRM
O=C([O-])Nc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	ZINC000834255168	606002145	/nfs/dbraw/zinc/00/21/45/606002145.db2.gz	GBNCWYBVPBIPKB-UHFFFAOYSA-N	-1	0	357.263	3.691	20	50		FHGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl	ZINC000833063664	601789651	/nfs/dbraw/zinc/78/96/51/601789651.db2.gz	KVPHXHIEFMSBFH-OQFOIZHKSA-N	-1	0	350.161	3.565	20	50		FHGDRM
O=C([O-])c1cc(OC(=O)c2cncc(-c3ccccc3)c2)ccc1[N+](=O)[O-]	ZINC000833353485	601864288	/nfs/dbraw/zinc/86/42/88/601864288.db2.gz	LYRXAWHBYZZILQ-UHFFFAOYSA-N	-1	0	364.313	3.574	20	50		FHGDRM
O=C([O-])[C@@H](NNC(=O)c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1	ZINC000833149095	601971751	/nfs/dbraw/zinc/97/17/51/601971751.db2.gz	DQVDEDQCZZVGIE-ZDUSSCGKSA-N	-1	0	373.623	3.707	20	50		FHGDRM
Cc1ccccc1NNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1	ZINC000832979383	602111395	/nfs/dbraw/zinc/11/13/95/602111395.db2.gz	NOUFIDFHFLGNTE-UHFFFAOYSA-N	-1	0	353.300	3.861	20	50		FHGDRM
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2CC(=O)[O-])c(C)n1CCC(C)C	ZINC000832881937	604582853	/nfs/dbraw/zinc/58/28/53/604582853.db2.gz	WZBCCYQZAQBRPV-WAGPWIPHSA-N	-1	0	371.481	3.524	20	50		FHGDRM
CCn1cc(CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c2ccccc21	ZINC000833682032	605245992	/nfs/dbraw/zinc/24/59/92/605245992.db2.gz	HUEZRCIETCILSZ-UHFFFAOYSA-N	-1	0	371.824	3.699	20	50		FHGDRM
CC(C)COc1cccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000833490413	605247136	/nfs/dbraw/zinc/24/71/36/605247136.db2.gz	FZTRYMUGTUWKQJ-UHFFFAOYSA-N	-1	0	362.813	3.830	20	50		FHGDRM
COc1ccc(CCCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000833731916	605247671	/nfs/dbraw/zinc/24/76/71/605247671.db2.gz	QKWPBRCOPQRWPL-UHFFFAOYSA-N	-1	0	362.813	3.513	20	50		FHGDRM
CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cc1	ZINC000833664182	605318797	/nfs/dbraw/zinc/31/87/97/605318797.db2.gz	QMAHCMRYCJUKHF-UKTHLTGXSA-N	-1	0	369.352	3.860	20	50		FHGDRM
CC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CC[C@@H]1NC(=O)[O-]	ZINC000833848530	605352754	/nfs/dbraw/zinc/35/27/54/605352754.db2.gz	NKIYRRKVSSEFGQ-MCIONIFRSA-N	-1	0	360.545	3.595	20	50		FHGDRM
CC(C)Oc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1Cl	ZINC000833506435	605707626	/nfs/dbraw/zinc/70/76/26/605707626.db2.gz	BIDLYEWKCNFREP-UHFFFAOYSA-N	-1	0	363.801	3.974	20	50		FHGDRM
CC(C)(C)c1cc(NC(=O)NNc2cccc(C(=O)[O-])c2)n(C(C)(C)C)n1	ZINC000833450367	605710407	/nfs/dbraw/zinc/71/04/07/605710407.db2.gz	QLXMAIBCEYLHIZ-UHFFFAOYSA-N	-1	0	373.457	3.782	20	50		FHGDRM
Cc1c(NC(=O)NNc2cccc(C(=O)[O-])c2)cccc1C(F)(F)F	ZINC000833741729	605714613	/nfs/dbraw/zinc/71/46/13/605714613.db2.gz	GIUCJFFZDLBHJZ-UHFFFAOYSA-N	-1	0	353.300	3.861	20	50		FHGDRM
C[C@@H](Sc1ccccc1Cl)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833545016	605737595	/nfs/dbraw/zinc/73/75/95/605737595.db2.gz	MMGBBOUTOKWTJD-SNVBAGLBSA-N	-1	0	350.827	3.662	20	50		FHGDRM
CCCOc1ccc([C@@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)cc1	ZINC000833651867	605742396	/nfs/dbraw/zinc/74/23/96/605742396.db2.gz	DZNCBQBMQJOPRU-CYBMUJFWSA-N	-1	0	357.410	3.561	20	50		FHGDRM
Cc1cccc(NNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)c1	ZINC000832971185	602142816	/nfs/dbraw/zinc/14/28/16/602142816.db2.gz	PRGVJQCCRQHQLX-UHFFFAOYSA-N	-1	0	353.300	3.861	20	50		FHGDRM
N#C/C(=C/c1cccc2c1N(C(=O)[O-])CC2)c1nc(-c2ccccc2)no1	ZINC000831064550	603810051	/nfs/dbraw/zinc/81/00/51/603810051.db2.gz	IZPSKXSJEJZFIU-WJDWOHSUSA-N	-1	0	358.357	3.841	20	50		FHGDRM
CCc1[nH]c(C(=O)NNc2ccnc3cc(Cl)ccc32)c(C)c1C(=O)[O-]	ZINC000830197454	604540007	/nfs/dbraw/zinc/54/00/07/604540007.db2.gz	VCQNCDWXCJUSRX-UHFFFAOYSA-N	-1	0	372.812	3.542	20	50		FHGDRM
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1	ZINC000830064507	604553058	/nfs/dbraw/zinc/55/30/58/604553058.db2.gz	SWSKOLSYKVXJBN-NWFCWYBLSA-N	-1	0	369.373	3.896	20	50		FHGDRM
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1	ZINC000830064510	604555331	/nfs/dbraw/zinc/55/53/31/604555331.db2.gz	SWSKOLSYKVXJBN-OJNRTJSBSA-N	-1	0	369.373	3.896	20	50		FHGDRM
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H]2CC(=O)[O-])c(C)n1CCC(C)C	ZINC000832881935	604582401	/nfs/dbraw/zinc/58/24/01/604582401.db2.gz	WZBCCYQZAQBRPV-LOHYDARVSA-N	-1	0	371.481	3.524	20	50		FHGDRM
CC(C)c1nn(-c2ccc(Br)cc2)cc1/C=C(\C#N)C(=O)[O-]	ZINC000833511804	605025732	/nfs/dbraw/zinc/02/57/32/605025732.db2.gz	GNPYDLGESUCLBF-YRNVUSSQSA-N	-1	0	360.211	3.750	20	50		FHGDRM
C[C@@H](OC1CCCCCC1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833537186	605247177	/nfs/dbraw/zinc/24/71/77/605247177.db2.gz	XXRDYBDJZPUHKJ-LLVKDONJSA-N	-1	0	354.834	3.609	20	50		FHGDRM
C[C@H](Oc1ccccc1Cl)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833543050	605247416	/nfs/dbraw/zinc/24/74/16/605247416.db2.gz	NOYSKWMAICEWKK-VIFPVBQESA-N	-1	0	369.204	3.602	20	50		FHGDRM
CC(C)N(C)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1F	ZINC000833496067	605708766	/nfs/dbraw/zinc/70/87/66/605708766.db2.gz	ODVQSYMILMIGDZ-UHFFFAOYSA-N	-1	0	360.389	3.517	20	50		FHGDRM
C/C(=C\C(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1	ZINC000833383040	605730075	/nfs/dbraw/zinc/73/00/75/605730075.db2.gz	QLNRYOBVYDBYTP-DHZHZOJOSA-N	-1	0	364.323	3.950	20	50		FHGDRM
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833538455	605735359	/nfs/dbraw/zinc/73/53/59/605735359.db2.gz	GACUXUNRBNSVOU-SECBINFHSA-N	-1	0	369.204	3.602	20	50		FHGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2cc(C(F)(F)F)ccc2F)c1	ZINC000834267441	605834632	/nfs/dbraw/zinc/83/46/32/605834632.db2.gz	XSZZNVPKEFMIMD-UHFFFAOYSA-N	-1	0	371.290	3.620	20	50		FHGDRM
C[C@@H](CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)[O-]	ZINC000827493105	601616765	/nfs/dbraw/zinc/61/67/65/601616765.db2.gz	LPOGKQQPQXOOIJ-CPCISQLKSA-N	-1	0	370.780	3.748	20	50		FHGDRM
Cc1cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])C2CC2)c(C)n1C1CCCCC1	ZINC000832881524	601636531	/nfs/dbraw/zinc/63/65/31/601636531.db2.gz	QYUGAEAVAZINGU-GZTJUZNOSA-N	-1	0	369.465	3.593	20	50		FHGDRM
CCc1[nH]c(C(=O)NNc2cc(Cl)ccc2Cl)c(C)c1C(=O)[O-]	ZINC000830197824	601758261	/nfs/dbraw/zinc/75/82/61/601758261.db2.gz	ZUTFENAFGHFMQW-UHFFFAOYSA-N	-1	0	356.209	3.647	20	50		FHGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000833062528	601789539	/nfs/dbraw/zinc/78/95/39/601789539.db2.gz	COLAAUSFGFDXRC-OQFOIZHKSA-N	-1	0	350.161	3.565	20	50		FHGDRM
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)[O-])cs2)c1C	ZINC000829578985	602188945	/nfs/dbraw/zinc/18/89/45/602188945.db2.gz	ABADJJVEAUYWSZ-VGOFMYFVSA-N	-1	0	357.435	3.820	20	50		FHGDRM
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000827570687	604049765	/nfs/dbraw/zinc/04/97/65/604049765.db2.gz	UAHQDWKDIMQUCZ-UONOGXRCSA-N	-1	0	361.467	3.759	20	50		FHGDRM
Cc1cc(Cl)ccc1OCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833744863	605246527	/nfs/dbraw/zinc/24/65/27/605246527.db2.gz	SFJOIMPBBKFNNW-UHFFFAOYSA-N	-1	0	369.204	3.522	20	50		FHGDRM
Cc1ccc(-c2nc(CC(=O)NNc3ccccc3C(=O)[O-])cs2)cc1	ZINC000833746528	605259318	/nfs/dbraw/zinc/25/93/18/605259318.db2.gz	JESLJXRVIOGSCU-UHFFFAOYSA-N	-1	0	367.430	3.503	20	50		FHGDRM
CC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CC[C@@H]1NC(=O)[O-]	ZINC000833848532	605352431	/nfs/dbraw/zinc/35/24/31/605352431.db2.gz	NKIYRRKVSSEFGQ-RDBSUJKOSA-N	-1	0	360.545	3.595	20	50		FHGDRM
CC(C)(C)c1ccc(NNC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1	ZINC000833448834	605715409	/nfs/dbraw/zinc/71/54/09/605715409.db2.gz	IDWYSPHRUQPXJP-UHFFFAOYSA-N	-1	0	362.455	3.606	20	50		FHGDRM
O=C([O-])c1ccccc1NNC(=O)Cc1csc2ccc(Cl)cc12	ZINC000833765328	605724760	/nfs/dbraw/zinc/72/47/60/605724760.db2.gz	IFJKYZOWSJIQTJ-UHFFFAOYSA-N	-1	0	360.822	3.939	20	50		FHGDRM
CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1	ZINC000833411845	605730113	/nfs/dbraw/zinc/73/01/13/605730113.db2.gz	SAFTWXXPZXYOCF-UHFFFAOYSA-N	-1	0	366.339	3.825	20	50		FHGDRM
C[C@@H]1CCc2[nH]c3ccc(C(=O)NNc4cccc(C(=O)[O-])c4)cc3c2C1	ZINC000833616527	605730962	/nfs/dbraw/zinc/73/09/62/605730962.db2.gz	CARJYEXOYYXFCR-GFCCVEGCSA-N	-1	0	363.417	3.748	20	50		FHGDRM
O=C([O-])N1CCC2(CCN(C(=O)CCCC[C@@H]3CCSS3)C2)CC1	ZINC000834088964	605871179	/nfs/dbraw/zinc/87/11/79/605871179.db2.gz	SQYDYUPRRUTEGY-CQSZACIVSA-N	-1	0	372.556	3.693	20	50		FHGDRM
O=C([O-])Nc1cccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1	ZINC000834264800	606002128	/nfs/dbraw/zinc/00/21/28/606002128.db2.gz	NVJPWCLQLKMXJZ-UHFFFAOYSA-N	-1	0	357.263	3.691	20	50		FHGDRM
CCC(CC)(NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C)C(=O)[O-]	ZINC000828820561	600976782	/nfs/dbraw/zinc/97/67/82/600976782.db2.gz	LZSUZQMLDGTVOT-PDGQHHTCSA-N	-1	0	373.497	3.818	20	50		FHGDRM
CCCCCSc1nc2ccc(NC(=O)NNC(=O)[O-])cc2s1	ZINC000829373333	601073784	/nfs/dbraw/zinc/07/37/84/601073784.db2.gz	RUQZXUPSFLUHDC-UHFFFAOYSA-N	-1	0	354.457	3.883	20	50		FHGDRM
Cc1cc(/C=C(\C#N)C(=O)NC2(CC(=O)[O-])CCC2)c(C)n1CCC(C)C	ZINC000832881749	601452821	/nfs/dbraw/zinc/45/28/21/601452821.db2.gz	VCCVYJVBLBSWOQ-WOJGMQOQSA-N	-1	0	371.481	3.572	20	50		FHGDRM
O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	ZINC000832278682	603449282	/nfs/dbraw/zinc/44/92/82/603449282.db2.gz	OLKNHCGDACDOPE-HTRCEHHLSA-N	-1	0	366.632	3.526	20	50		FHGDRM
O=C([O-])N[C@@H]1CC[C@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	ZINC000832278685	603449328	/nfs/dbraw/zinc/44/93/28/603449328.db2.gz	OLKNHCGDACDOPE-POYBYMJQSA-N	-1	0	366.632	3.526	20	50		FHGDRM
O=C([O-])Nc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)c(Cl)c1	ZINC000832839431	604006038	/nfs/dbraw/zinc/00/60/38/604006038.db2.gz	XVBLFEHWJZQDNC-UHFFFAOYSA-N	-1	0	358.156	3.979	20	50		FHGDRM
CC(C)(C(=O)[O-])c1ccc(NC(=O)NN=c2[nH]c3ccccc3s2)cc1	ZINC000833418341	604733909	/nfs/dbraw/zinc/73/39/09/604733909.db2.gz	HFNBEZMNFKXDCF-UHFFFAOYSA-N	-1	0	370.434	3.807	20	50		FHGDRM
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNc3ccc(C(=O)[O-])cn3)cc2C1	ZINC000833427014	604804477	/nfs/dbraw/zinc/80/44/77/604804477.db2.gz	XNZNXEDTEYDWLS-CYBMUJFWSA-N	-1	0	373.478	3.749	20	50		FHGDRM
O=C([O-])N1CCCc2cccc(C=NNC(=O)c3cc4ccccc4o3)c21	ZINC000831736656	604828479	/nfs/dbraw/zinc/82/84/79/604828479.db2.gz	RQWMMASZFNJHEY-UHFFFAOYSA-N	-1	0	363.373	3.627	20	50		FHGDRM
COc1cc2ccccc2cc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833729353	605246549	/nfs/dbraw/zinc/24/65/49/605246549.db2.gz	BFZBWOUFTVAZDM-UHFFFAOYSA-N	-1	0	370.792	3.957	20	50		FHGDRM
CC(C)COc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000833487380	605247245	/nfs/dbraw/zinc/24/72/45/605247245.db2.gz	BREFPRVWQFAAGG-UHFFFAOYSA-N	-1	0	362.813	3.830	20	50		FHGDRM
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833539199	605257758	/nfs/dbraw/zinc/25/77/58/605257758.db2.gz	LRDOCBABUSYYJN-VIFPVBQESA-N	-1	0	369.204	3.602	20	50		FHGDRM
CC(=O)c1ccc(-c2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)o2)cc1	ZINC000833400239	605731792	/nfs/dbraw/zinc/73/17/92/605731792.db2.gz	AROVXJAIALUWIH-UHFFFAOYSA-N	-1	0	364.357	3.604	20	50		FHGDRM
C[C@H](Sc1nc2ccccc2s1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833545410	605735463	/nfs/dbraw/zinc/73/54/63/605735463.db2.gz	RENPJOUVILENGP-JTQLQIEISA-N	-1	0	373.459	3.618	20	50		FHGDRM
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)c(Cl)c1	ZINC000833521720	605741501	/nfs/dbraw/zinc/74/15/01/605741501.db2.gz	RKCUFBXTNHLTRX-SECBINFHSA-N	-1	0	351.765	3.565	20	50		FHGDRM
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC(CC)(CC)C(=O)[O-])c1C	ZINC000829448040	600977557	/nfs/dbraw/zinc/97/75/57/600977557.db2.gz	VXIQLXAVPDOTSJ-SFQUDFHCSA-N	-1	0	359.470	3.572	20	50		FHGDRM
COc1ccc(NNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)cc1	ZINC000832413072	602142832	/nfs/dbraw/zinc/14/28/32/602142832.db2.gz	AHTKVKKYLZAUGG-UHFFFAOYSA-N	-1	0	369.299	3.561	20	50		FHGDRM
C[C@H](Sc1ccccc1C(=O)NNc1cccc2cnccc21)C(=O)[O-]	ZINC000833545368	604939034	/nfs/dbraw/zinc/93/90/34/604939034.db2.gz	HCYCZBVIOAMFDY-LBPRGKRZSA-N	-1	0	367.430	3.557	20	50		FHGDRM
C[C@H](Sc1ccccc1C(=O)NNc1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC000833546121	604940945	/nfs/dbraw/zinc/94/09/45/604940945.db2.gz	PTDSTMRIYFSYJD-VIFPVBQESA-N	-1	0	368.817	3.801	20	50		FHGDRM
CC(C)(C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(F)c1	ZINC000833412172	605246645	/nfs/dbraw/zinc/24/66/45/605246645.db2.gz	ZXQIFEOWGJOVNP-UHFFFAOYSA-N	-1	0	350.777	3.598	20	50		FHGDRM
C[C@H]1CCc2c(C(=O)NNc3ccc(C(=O)[O-])c(Cl)c3)csc2C1	ZINC000833616536	605248862	/nfs/dbraw/zinc/24/88/62/605248862.db2.gz	CHMGSOSBNCGVRB-VIFPVBQESA-N	-1	0	364.854	3.981	20	50		FHGDRM
O=C([O-])NCc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	ZINC000834248652	605426964	/nfs/dbraw/zinc/42/69/64/605426964.db2.gz	HONKLGRRKRNXCX-UHFFFAOYSA-N	-1	0	372.183	3.657	20	50		FHGDRM
CC(C)Oc1ccccc1[C@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833507376	605740907	/nfs/dbraw/zinc/74/09/07/605740907.db2.gz	JQNCKMDVUXLEJZ-ZDUSSCGKSA-N	-1	0	357.410	3.559	20	50		FHGDRM
CCOc1ccc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])oc2CC)cc1	ZINC000830063665	601460061	/nfs/dbraw/zinc/46/00/61/601460061.db2.gz	HFQNZSOIXCYWEV-NTEUORMPSA-N	-1	0	369.373	3.589	20	50		FHGDRM
Cc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1NC(=O)[O-]	ZINC000830225171	603286422	/nfs/dbraw/zinc/28/64/22/603286422.db2.gz	HEFVCQUIMPXSNP-UHFFFAOYSA-N	-1	0	353.300	3.861	20	50		FHGDRM
COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNc1cccc(Cl)c1	ZINC000829187530	603286498	/nfs/dbraw/zinc/28/64/98/603286498.db2.gz	KCEMQPBJVFQQLC-UHFFFAOYSA-N	-1	0	370.192	3.849	20	50		FHGDRM
COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNc1cc(C)ccc1F	ZINC000829187422	604412487	/nfs/dbraw/zinc/41/24/87/604412487.db2.gz	HTMDWDBDABKDMB-UHFFFAOYSA-N	-1	0	367.764	3.643	20	50		FHGDRM
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[C@H]1CCSS1	ZINC000832229199	605150140	/nfs/dbraw/zinc/15/01/40/605150140.db2.gz	XGKCPTUKEIZSNQ-DKUMPPAJSA-N	-1	0	372.556	3.880	20	50		FHGDRM
C[C@]1(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCCc2ccccc21	ZINC000833553041	605247948	/nfs/dbraw/zinc/24/79/48/605247948.db2.gz	NTZZBNKVIQSXPG-IBGZPJMESA-N	-1	0	358.825	3.776	20	50		FHGDRM
CC(C)CC(=O)Nc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1	ZINC000833474320	605706669	/nfs/dbraw/zinc/70/66/69/605706669.db2.gz	PAWKBYXZMNWXIV-UHFFFAOYSA-N	-1	0	370.409	3.518	20	50		FHGDRM
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1	ZINC000833449261	605710336	/nfs/dbraw/zinc/71/03/36/605710336.db2.gz	RDCYVXAGFQFSER-UHFFFAOYSA-N	-1	0	356.426	3.900	20	50		FHGDRM
CC(C)Cn1ncc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1C(C)C	ZINC000833494704	605714987	/nfs/dbraw/zinc/71/49/87/605714987.db2.gz	XJHFUAVOTYRDJJ-UHFFFAOYSA-N	-1	0	359.430	3.509	20	50		FHGDRM
C/C(=C\C(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1OC(F)F	ZINC000833383094	605730155	/nfs/dbraw/zinc/73/01/55/605730155.db2.gz	RLQJUCXCHMPHIG-PKNBQFBNSA-N	-1	0	362.332	3.533	20	50		FHGDRM
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833539882	605735638	/nfs/dbraw/zinc/73/56/38/605735638.db2.gz	JHYMRJLIPKCSBI-VIFPVBQESA-N	-1	0	369.204	3.602	20	50		FHGDRM
CC(C)COc1ccc(C(C)(C)C(=O)NNc2cccc(C(=O)[O-])c2)cc1	ZINC000833487407	605736894	/nfs/dbraw/zinc/73/68/94/605736894.db2.gz	CNZKHEFCHVTLGF-UHFFFAOYSA-N	-1	0	370.449	3.841	20	50		FHGDRM
CC(C)Oc1ccccc1[C@@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833507375	605740786	/nfs/dbraw/zinc/74/07/86/605740786.db2.gz	JQNCKMDVUXLEJZ-CYBMUJFWSA-N	-1	0	357.410	3.559	20	50		FHGDRM
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cc2ccccc2s1	ZINC000833522160	605743737	/nfs/dbraw/zinc/74/37/37/605743737.db2.gz	XHZNJNGKFJALKE-LLVKDONJSA-N	-1	0	355.419	3.987	20	50		FHGDRM
O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCCC[C@H]1CCSS1	ZINC000833193583	601490871	/nfs/dbraw/zinc/49/08/71/601490871.db2.gz	CPWTZKZBYWOQPD-YOEHRIQHSA-N	-1	0	365.520	3.911	20	50		FHGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl	ZINC000833064888	601789834	/nfs/dbraw/zinc/78/98/34/601789834.db2.gz	XYXULGAOKHONOT-WTKPLQERSA-N	-1	0	350.161	3.565	20	50		FHGDRM
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(=O)[O-])cs2)c1C	ZINC000829578984	602189127	/nfs/dbraw/zinc/18/91/27/602189127.db2.gz	ABADJJVEAUYWSZ-AUWJEWJLSA-N	-1	0	357.435	3.820	20	50		FHGDRM
CCN(CC1CCN(C(=O)CCCC[C@H]2CCSS2)CC1)C(=O)[O-]	ZINC000827059184	603755272	/nfs/dbraw/zinc/75/52/72/603755272.db2.gz	IDTDZWDJFHMWLT-HNNXBMFYSA-N	-1	0	374.572	3.939	20	50		FHGDRM
C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	ZINC000825210158	604261184	/nfs/dbraw/zinc/26/11/84/604261184.db2.gz	ILDCFEAVLUXSMV-IHRRRGAJSA-N	-1	0	360.545	3.595	20	50		FHGDRM
CCc1ccc([C@@H](C)CC(=O)NNc2ccc(C(=O)[O-])cc2OC)cc1	ZINC000833670055	604647997	/nfs/dbraw/zinc/64/79/97/604647997.db2.gz	JAMDRPDETMZTES-ZDUSSCGKSA-N	-1	0	356.422	3.593	20	50		FHGDRM
CC(C)(C(=O)[O-])c1ccc(NC(=O)NNc2ccc(F)c(F)c2F)cc1	ZINC000833420034	604733972	/nfs/dbraw/zinc/73/39/72/604733972.db2.gz	XBOXGBNLZBMHOS-UHFFFAOYSA-N	-1	0	367.327	3.615	20	50		FHGDRM
C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cc2c(s1)CCCCCC2	ZINC000833406536	605039019	/nfs/dbraw/zinc/03/90/19/605039019.db2.gz	NNTRUCMEXDUUFC-CYBMUJFWSA-N	-1	0	373.478	3.618	20	50		FHGDRM
C[C@]1(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCc2ccccc2C1	ZINC000833553340	605247897	/nfs/dbraw/zinc/24/78/97/605247897.db2.gz	TWIFKNSGOWEPFN-IBGZPJMESA-N	-1	0	358.825	3.677	20	50		FHGDRM
CCN(c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1)C(C)C	ZINC000833655014	605706044	/nfs/dbraw/zinc/70/60/44/605706044.db2.gz	SOLCAJJJXWTWKM-UHFFFAOYSA-N	-1	0	356.426	3.768	20	50		FHGDRM
Cc1ccc(Br)c(NC(=O)NNc2cccc(C(=O)[O-])c2)c1	ZINC000833747173	605716095	/nfs/dbraw/zinc/71/60/95/605716095.db2.gz	CAWGSMFYFWVISE-UHFFFAOYSA-N	-1	0	364.199	3.604	20	50		FHGDRM
C[C@H](CCc1ccccc1F)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000827427087	600973335	/nfs/dbraw/zinc/97/33/35/600973335.db2.gz	ABXLOGVDHXKTKL-LLVKDONJSA-N	-1	0	361.325	3.606	20	50		FHGDRM
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000829009539	600973780	/nfs/dbraw/zinc/97/37/80/600973780.db2.gz	GHNACARPUOBXMF-OZVIIMIRSA-N	-1	0	365.382	3.572	20	50		FHGDRM
CCc1cc(SC#N)cc(CC)c1NC(=O)CCSCC(=O)[O-]	ZINC000830224393	601126597	/nfs/dbraw/zinc/12/65/97/601126597.db2.gz	MUUXPHNAMSTUBT-UHFFFAOYSA-N	-1	0	352.481	3.531	20	50		FHGDRM
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1	ZINC000830064354	601460058	/nfs/dbraw/zinc/46/00/58/601460058.db2.gz	RGCHIPRWSLUBGP-HLVNSREUSA-N	-1	0	355.346	3.588	20	50		FHGDRM
O=C([O-])Nc1cc(C(=O)NNc2ccc(F)cc2)cc(C(F)(F)F)c1	ZINC000833281220	601961635	/nfs/dbraw/zinc/96/16/35/601961635.db2.gz	HMPGLIISJWSHFV-UHFFFAOYSA-N	-1	0	357.263	3.691	20	50		FHGDRM
O=C([O-])Nc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)c(Cl)c1	ZINC000832839441	604008429	/nfs/dbraw/zinc/00/84/29/604008429.db2.gz	XWWPUCYGPBQTTG-UHFFFAOYSA-N	-1	0	359.691	3.604	20	50		FHGDRM
N#CC(C#N)=CNc1cc(C(=O)[O-])ccc1Sc1ccc(Cl)cn1	ZINC000833064235	604397091	/nfs/dbraw/zinc/39/70/91/604397091.db2.gz	QIIUZECENBFQCT-UHFFFAOYSA-N	-1	0	356.794	3.927	20	50		FHGDRM
O=C([O-])CCc1csc(NC(=O)CCCC[C@H]2CCSS2)n1	ZINC000833237701	604728574	/nfs/dbraw/zinc/72/85/74/604728574.db2.gz	ILWHNJYOZZXTDS-NSHDSACASA-N	-1	0	360.526	3.813	20	50		FHGDRM
CCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(C(=O)[O-])c2C)cc1	ZINC000833662719	605199842	/nfs/dbraw/zinc/19/98/42/605199842.db2.gz	ABNSTWIPUCPWNH-MDWZMJQESA-N	-1	0	356.403	3.699	20	50		FHGDRM
C[C@H](Sc1ccccc1C(=O)NN=c1ccc2ccccc2[nH]1)C(=O)[O-]	ZINC000833546723	605236522	/nfs/dbraw/zinc/23/65/22/605236522.db2.gz	UROXZNFSWGBSCL-LBPRGKRZSA-N	-1	0	367.430	3.557	20	50		FHGDRM
CC(C)OCc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000833505699	605247417	/nfs/dbraw/zinc/24/74/17/605247417.db2.gz	RBMFBNKIBMFCLH-UHFFFAOYSA-N	-1	0	362.813	3.720	20	50		FHGDRM
C/C(=C/C(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1	ZINC000833383042	605730349	/nfs/dbraw/zinc/73/03/49/605730349.db2.gz	QLNRYOBVYDBYTP-FLIBITNWSA-N	-1	0	364.323	3.950	20	50		FHGDRM
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000829009538	600973642	/nfs/dbraw/zinc/97/36/42/600973642.db2.gz	GHNACARPUOBXMF-MKBNYLNASA-N	-1	0	365.382	3.572	20	50		FHGDRM
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(=O)[O-])[nH]3)n2)cc1	ZINC000832124563	601331590	/nfs/dbraw/zinc/33/15/90/601331590.db2.gz	SOYOAEFPHJXNCC-XYOKQWHBSA-N	-1	0	351.387	3.909	20	50		FHGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000833064718	601789529	/nfs/dbraw/zinc/78/95/29/601789529.db2.gz	VGDIATWQYODIAN-OQYWKCLKSA-N	-1	0	350.161	3.565	20	50		FHGDRM
Cc1cc(CCCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)s1	ZINC000832881333	601803901	/nfs/dbraw/zinc/80/39/01/601803901.db2.gz	AGGZZOGCHKXTBE-UHFFFAOYSA-N	-1	0	363.391	3.900	20	50		FHGDRM
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(C(=O)[O-])s2)c1C	ZINC000829579796	601999428	/nfs/dbraw/zinc/99/94/28/601999428.db2.gz	LNXGCRGLGHAIPE-DHDCSXOGSA-N	-1	0	372.446	3.925	20	50		FHGDRM
O=C([O-])NCc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)o1	ZINC000832701942	603287109	/nfs/dbraw/zinc/28/71/09/603287109.db2.gz	HRLVLZYKYCFTPV-UHFFFAOYSA-N	-1	0	351.362	3.530	20	50		FHGDRM
CCOc1ccc(C=C(C#N)C(=O)Oc2cccc(NC(=O)[O-])c2)cc1	ZINC000827427917	603478179	/nfs/dbraw/zinc/47/81/79/603478179.db2.gz	ONBGHQIOCSHSMU-GXDHUFHOSA-N	-1	0	352.346	3.688	20	50		FHGDRM
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2	ZINC000830489428	603809431	/nfs/dbraw/zinc/80/94/31/603809431.db2.gz	XJHAPCIYZMYQPB-GZTJUZNOSA-N	-1	0	361.401	3.890	20	50		FHGDRM
CCc1cc(SC#N)cc(CC)c1NC(=O)CC1(NC(=O)[O-])CCC1	ZINC000827571405	604049711	/nfs/dbraw/zinc/04/97/11/604049711.db2.gz	ZNTAADSPIKNCJO-UHFFFAOYSA-N	-1	0	361.467	3.903	20	50		FHGDRM
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000827568816	604049823	/nfs/dbraw/zinc/04/98/23/604049823.db2.gz	HJPDNFCQFRXFCP-CQSZACIVSA-N	-1	0	361.467	3.713	20	50		FHGDRM
C[C@H](Sc1ccccc1C(=O)NNc1cccc2c1CCCC2)C(=O)[O-]	ZINC000833545667	604939294	/nfs/dbraw/zinc/93/92/94/604939294.db2.gz	LTFRDNQVTRQQEZ-ZDUSSCGKSA-N	-1	0	370.474	3.888	20	50		FHGDRM
CC(C)(C)Oc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000833447176	605243694	/nfs/dbraw/zinc/24/36/94/605243694.db2.gz	DFKBMWVKPGGHLT-UHFFFAOYSA-N	-1	0	362.813	3.972	20	50		FHGDRM
COc1ccc(C2(C(=O)NNc3ccc(C(=O)[O-])c(Cl)c3)CCC2)cc1	ZINC000833730917	605246595	/nfs/dbraw/zinc/24/65/95/605246595.db2.gz	LBDGOXIFVMZHDT-UHFFFAOYSA-N	-1	0	374.824	3.612	20	50		FHGDRM
O=C([O-])c1ccc(NNC(=O)CCc2cccc(Cl)c2)cc1Cl	ZINC000833763900	605248601	/nfs/dbraw/zinc/24/86/01/605248601.db2.gz	MUQMYMAGXOVKQQ-UHFFFAOYSA-N	-1	0	353.205	3.768	20	50		FHGDRM
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833541278	605258465	/nfs/dbraw/zinc/25/84/65/605258465.db2.gz	RVBCCWFSQWYQFN-VIFPVBQESA-N	-1	0	369.204	3.602	20	50		FHGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1c(Cl)cc(F)cc1Cl	ZINC000834274986	605426750	/nfs/dbraw/zinc/42/67/50/605426750.db2.gz	VJXDYVFCXNAEGC-UHFFFAOYSA-N	-1	0	372.183	3.908	20	50		FHGDRM
O=C([O-])c1cccc(NNC(=O)Cc2csc3ccc(Cl)cc23)c1	ZINC000833765682	605738599	/nfs/dbraw/zinc/73/85/99/605738599.db2.gz	XABXRHJHQKJCRQ-UHFFFAOYSA-N	-1	0	360.822	3.939	20	50		FHGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1cc(C(F)(F)F)ccc1F	ZINC000834275057	606073826	/nfs/dbraw/zinc/07/38/26/606073826.db2.gz	XOPZFWYBQDICNB-UHFFFAOYSA-N	-1	0	371.290	3.620	20	50		FHGDRM
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])s2)c1C	ZINC000829580484	600899614	/nfs/dbraw/zinc/89/96/14/600899614.db2.gz	VFFXJLIDRIZFSR-NTEUORMPSA-N	-1	0	357.435	3.820	20	50		FHGDRM
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@](C)(CC)CC(=O)[O-])c1C	ZINC000829447736	601133577	/nfs/dbraw/zinc/13/35/77/601133577.db2.gz	QPJKQROFPMGSRX-OWMRDYPQSA-N	-1	0	359.470	3.572	20	50		FHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1cccc(Cl)c1Cl	ZINC000833063656	601444796	/nfs/dbraw/zinc/44/47/96/601444796.db2.gz	KUVWQGNKXZGGRW-SOFGYWHQSA-N	-1	0	350.161	3.565	20	50		FHGDRM
O=C([O-])Nc1cc(C(=O)NNc2cc(Cl)ccc2Cl)ccc1F	ZINC000832820473	603839984	/nfs/dbraw/zinc/83/99/84/603839984.db2.gz	CPVYPLOQVDWOHP-UHFFFAOYSA-N	-1	0	358.156	3.979	20	50		FHGDRM
Cc1[nH]c(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(C)c1C(=O)[O-]	ZINC000833740045	604510840	/nfs/dbraw/zinc/51/08/40/604510840.db2.gz	NJYVMNVJKXMCEW-UHFFFAOYSA-N	-1	0	360.172	3.533	20	50		FHGDRM
CC(C)(C)c1ccc(CCCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1	ZINC000833448761	604804528	/nfs/dbraw/zinc/80/45/28/604804528.db2.gz	GWYFHZSIBLRBSA-UHFFFAOYSA-N	-1	0	355.438	3.543	20	50		FHGDRM
C[C@H](OC1CCCCCC1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833537187	605247208	/nfs/dbraw/zinc/24/72/08/605247208.db2.gz	XXRDYBDJZPUHKJ-NSHDSACASA-N	-1	0	354.834	3.609	20	50		FHGDRM
O=C([O-])Nc1cc2ccccc2cc1C(=O)NNc1cc(Cl)ccn1	ZINC000834257698	605476941	/nfs/dbraw/zinc/47/69/41/605476941.db2.gz	ZBJBZJSGMDMSCJ-UHFFFAOYSA-N	-1	0	356.769	3.735	20	50		FHGDRM
CC(C)(C)Oc1cc(F)ccc1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833447429	605715027	/nfs/dbraw/zinc/71/50/27/605715027.db2.gz	JZWJOJPWHNCUNZ-UHFFFAOYSA-N	-1	0	361.373	3.850	20	50		FHGDRM
CC(C)COc1ccc(C(C)(C)C(=O)NNc2ccccc2C(=O)[O-])cc1	ZINC000833489428	605723027	/nfs/dbraw/zinc/72/30/27/605723027.db2.gz	WFNAFCFGBCFDPG-UHFFFAOYSA-N	-1	0	370.449	3.841	20	50		FHGDRM
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833545731	605724041	/nfs/dbraw/zinc/72/40/41/605724041.db2.gz	MIRJBWYYONAKKI-SNVBAGLBSA-N	-1	0	350.827	3.662	20	50		FHGDRM
COc1ccc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000833731905	605809194	/nfs/dbraw/zinc/80/91/94/605809194.db2.gz	FFTWGGHOPSUODB-RIYZIHGNSA-N	-1	0	371.776	3.697	20	50		FHGDRM
CN(C(=O)CCCC[C@H]1CCSS1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000833868659	605918097	/nfs/dbraw/zinc/91/80/97/605918097.db2.gz	FAUWYKHSVYNVDX-IXXDHKBRSA-N	-1	0	372.556	3.832	20	50		FHGDRM
CCCc1c(C(=O)NNc2ccc(Cl)c(F)c2)[nH]c(C)c1C(=O)[O-]	ZINC000829557251	601122715	/nfs/dbraw/zinc/12/27/15/601122715.db2.gz	ZQJYUHYMHIPBPI-UHFFFAOYSA-N	-1	0	353.781	3.523	20	50		FHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1cccc(Cl)c1Cl	ZINC000833063657	601445589	/nfs/dbraw/zinc/44/55/89/601445589.db2.gz	KUVWQGNKXZGGRW-VURMDHGXSA-N	-1	0	350.161	3.565	20	50		FHGDRM
O=C([O-])[C@H](NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1	ZINC000833149640	601457725	/nfs/dbraw/zinc/45/77/25/601457725.db2.gz	XMUVMWMUPABHII-QGZVFWFLSA-N	-1	0	370.405	3.615	20	50		FHGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1ccc(SC(F)F)cc1	ZINC000833064570	601789476	/nfs/dbraw/zinc/78/94/76/601789476.db2.gz	SORGWIUBXCJOGZ-BJMVGYQFSA-N	-1	0	363.345	3.573	20	50		FHGDRM
CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1	ZINC000827427942	603042117	/nfs/dbraw/zinc/04/21/17/603042117.db2.gz	OYHDHOBMSSTQSQ-NTCAYCPXSA-N	-1	0	366.373	3.712	20	50		FHGDRM
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000827570672	604049629	/nfs/dbraw/zinc/04/96/29/604049629.db2.gz	UAHQDWKDIMQUCZ-KBPBESRZSA-N	-1	0	361.467	3.759	20	50		FHGDRM
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000827570690	604049933	/nfs/dbraw/zinc/04/99/33/604049933.db2.gz	UAHQDWKDIMQUCZ-ZIAGYGMSSA-N	-1	0	361.467	3.759	20	50		FHGDRM
C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	ZINC000825210157	604261160	/nfs/dbraw/zinc/26/11/60/604261160.db2.gz	ILDCFEAVLUXSMV-BFHYXJOUSA-N	-1	0	360.545	3.595	20	50		FHGDRM
C[C@@H](Sc1ccccc1C(=O)NNc1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC000833546120	604940718	/nfs/dbraw/zinc/94/07/18/604940718.db2.gz	PTDSTMRIYFSYJD-SECBINFHSA-N	-1	0	368.817	3.801	20	50		FHGDRM
C[C@H](Oc1cccc(Cl)c1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833538857	605247313	/nfs/dbraw/zinc/24/73/13/605247313.db2.gz	AIXNDZYERKVABJ-VIFPVBQESA-N	-1	0	369.204	3.602	20	50		FHGDRM
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)o1	ZINC000833603676	605249000	/nfs/dbraw/zinc/24/90/00/605249000.db2.gz	GVVCLYWAZPJAKE-HZMBPMFUSA-N	-1	0	362.813	3.831	20	50		FHGDRM
CC(C)(C)c1nc2cc(NC(=O)NNc3cccc(C(=O)[O-])c3)ccc2o1	ZINC000833451559	605710835	/nfs/dbraw/zinc/71/08/35/605710835.db2.gz	XKAPJBPWVHRGGB-UHFFFAOYSA-N	-1	0	368.393	3.972	20	50		FHGDRM
CC(C)Cn1cc(C(=O)NNc2ccccc2C(=O)[O-])c2ccccc21	ZINC000833494464	605721822	/nfs/dbraw/zinc/72/18/22/605721822.db2.gz	RPVJWGSLFRPUFF-UHFFFAOYSA-N	-1	0	351.406	3.752	20	50		FHGDRM
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833539097	605730972	/nfs/dbraw/zinc/73/09/72/605730972.db2.gz	KNNTXSXGTLNISZ-SECBINFHSA-N	-1	0	369.204	3.602	20	50		FHGDRM
C/C(=C/C(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1C(F)(F)F	ZINC000833381624	605734184	/nfs/dbraw/zinc/73/41/84/605734184.db2.gz	IIAUZSXVIARQSL-LUAWRHEFSA-N	-1	0	364.323	3.950	20	50		FHGDRM
CC(C)Oc1cccc([C@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)c1	ZINC000833506598	605740893	/nfs/dbraw/zinc/74/08/93/605740893.db2.gz	GJJBDQOLOXLIOK-ZDUSSCGKSA-N	-1	0	357.410	3.559	20	50		FHGDRM
Cc1ccc2[nH]cc(CCC(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2c1	ZINC000832960993	600997188	/nfs/dbraw/zinc/99/71/88/600997188.db2.gz	VPRMJGHXKSVUPI-UHFFFAOYSA-N	-1	0	368.345	3.621	20	50		FHGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1c(Cl)cccc1Cl	ZINC000833062527	601789608	/nfs/dbraw/zinc/78/96/08/601789608.db2.gz	CNDKUEWAZVPBTN-WTKPLQERSA-N	-1	0	350.161	3.565	20	50		FHGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000833064720	601789631	/nfs/dbraw/zinc/78/96/31/601789631.db2.gz	VGDIATWQYODIAN-XLUWADSXSA-N	-1	0	350.161	3.565	20	50		FHGDRM
CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1	ZINC000827427943	603042490	/nfs/dbraw/zinc/04/24/90/603042490.db2.gz	OYHDHOBMSSTQSQ-QINSGFPZSA-N	-1	0	366.373	3.712	20	50		FHGDRM
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000827570685	604049737	/nfs/dbraw/zinc/04/97/37/604049737.db2.gz	UAHQDWKDIMQUCZ-KGLIPLIRSA-N	-1	0	361.467	3.759	20	50		FHGDRM
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000827568815	604050039	/nfs/dbraw/zinc/05/00/39/604050039.db2.gz	HJPDNFCQFRXFCP-AWEZNQCLSA-N	-1	0	361.467	3.713	20	50		FHGDRM
O=C([O-])NCc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1	ZINC000832702709	604431185	/nfs/dbraw/zinc/43/11/85/604431185.db2.gz	VGRUXZYGGDVVQB-UHFFFAOYSA-N	-1	0	354.193	3.518	20	50		FHGDRM
O=C([O-])c1cccc(CC(=O)NNc2c(Cl)cc(F)cc2Cl)c1	ZINC000833765776	604472001	/nfs/dbraw/zinc/47/20/01/604472001.db2.gz	LVEAGJCAXOEBMK-UHFFFAOYSA-N	-1	0	357.168	3.517	20	50		FHGDRM
O=C([O-])c1ccc(NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)cc1Cl	ZINC000833782846	604714173	/nfs/dbraw/zinc/71/41/73/604714173.db2.gz	RDMXCHQXINIZME-IBRIGMFSSA-N	-1	0	372.646	3.930	20	50		FHGDRM
O=C([O-])c1ccccc1NNC(=O)CCc1cccc(OC2CCCC2)c1	ZINC000833764129	605259221	/nfs/dbraw/zinc/25/92/21/605259221.db2.gz	YFOLKNOBXCJTSZ-UHFFFAOYSA-N	-1	0	368.433	3.782	20	50		FHGDRM
C[C@@H](Sc1ccccc1Cl)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833545287	605260295	/nfs/dbraw/zinc/26/02/95/605260295.db2.gz	PPCUDCOWTMVVAX-SNVBAGLBSA-N	-1	0	350.827	3.662	20	50		FHGDRM
O=C([O-])c1cc(OC(=O)c2cccc(-c3cscn3)c2)ccc1[N+](=O)[O-]	ZINC000833353781	600974117	/nfs/dbraw/zinc/97/41/17/600974117.db2.gz	RGQUMWAPNPVVTE-UHFFFAOYSA-N	-1	0	370.342	3.636	20	50		FHGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl	ZINC000833063666	601789517	/nfs/dbraw/zinc/78/95/17/601789517.db2.gz	KVPHXHIEFMSBFH-YCRREMRBSA-N	-1	0	350.161	3.565	20	50		FHGDRM
CCCc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)[nH]c(C)c1C(=O)[O-]	ZINC000833653197	604914433	/nfs/dbraw/zinc/91/44/33/604914433.db2.gz	PPDYPHOHMIWDFG-UHFFFAOYSA-N	-1	0	369.343	3.750	20	50		FHGDRM
O=C([O-])c1ccccc1NNC(=O)[C@H](Oc1ccccc1)c1ccccc1	ZINC000833783676	605282587	/nfs/dbraw/zinc/28/25/87/605282587.db2.gz	BIMCYDNOPUCBSX-LJQANCHMSA-N	-1	0	362.385	3.648	20	50		FHGDRM
Cc1ccc(Br)cc1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833747445	605709853	/nfs/dbraw/zinc/70/98/53/605709853.db2.gz	OXWMLGKKBKCDSX-UHFFFAOYSA-N	-1	0	364.199	3.604	20	50		FHGDRM
Cc1ccc(-c2ncc(C(=O)NNc3cccc(C(=O)[O-])c3)s2)c(C)c1	ZINC000833746945	605736285	/nfs/dbraw/zinc/73/62/85/605736285.db2.gz	VULVAHNXZIEQJD-UHFFFAOYSA-N	-1	0	367.430	3.882	20	50		FHGDRM
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1c(F)cccc1Cl	ZINC000833521966	605746614	/nfs/dbraw/zinc/74/66/14/605746614.db2.gz	VAERLVVDJVNAQL-SECBINFHSA-N	-1	0	351.765	3.565	20	50		FHGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1cc(Cl)ccc1Cl	ZINC000834272010	606073926	/nfs/dbraw/zinc/07/39/26/606073926.db2.gz	JFQIEZGKFGJVDL-UHFFFAOYSA-N	-1	0	354.193	3.769	20	50		FHGDRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCCC[C@@H]1CCSS1	ZINC000034269796	948803342	/nfs/dbraw/zinc/80/33/42/948803342.db2.gz	VCFCZDWTUDMBJE-CABCVRRESA-N	-1	0	353.509	3.513	20	50		FHGDRM
O=C([O-])[C@H](NNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl	ZINC000833149220	600733662	/nfs/dbraw/zinc/73/36/62/600733662.db2.gz	ILNKIGAVXXNVSG-CYBMUJFWSA-N	-1	0	373.623	3.707	20	50		FHGDRM
C[C@H](CCc1cccc(F)c1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000827427741	600973349	/nfs/dbraw/zinc/97/33/49/600973349.db2.gz	MQKXELYCAKNNFP-LLVKDONJSA-N	-1	0	361.325	3.606	20	50		FHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1c(Cl)cccc1Cl	ZINC000833064998	601331037	/nfs/dbraw/zinc/33/10/37/601331037.db2.gz	ZBYMOALQANUNIW-SOFGYWHQSA-N	-1	0	350.161	3.565	20	50		FHGDRM
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1	ZINC000830064358	601460048	/nfs/dbraw/zinc/46/00/48/601460048.db2.gz	RGCHIPRWSLUBGP-XTCQQWIJSA-N	-1	0	355.346	3.588	20	50		FHGDRM
O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCCC[C@@H]1CCSS1	ZINC000833193580	601490709	/nfs/dbraw/zinc/49/07/09/601490709.db2.gz	CPWTZKZBYWOQPD-PBHICJAKSA-N	-1	0	365.520	3.911	20	50		FHGDRM
Cc1cc(/C=C(/C#N)C(=O)NCC(C)(C)C(=O)[O-])c(C)n1C1CCCCC1	ZINC000832880772	601712873	/nfs/dbraw/zinc/71/28/73/601712873.db2.gz	GYTYJADCMYOHNB-BOPFTXTBSA-N	-1	0	371.481	3.744	20	50		FHGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl	ZINC000833064887	601789992	/nfs/dbraw/zinc/78/99/92/601789992.db2.gz	XYXULGAOKHONOT-RUDMXATFSA-N	-1	0	350.161	3.565	20	50		FHGDRM
O=C([O-])N[C@H]1CC[C@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	ZINC000832278692	603449291	/nfs/dbraw/zinc/44/92/91/603449291.db2.gz	OLKNHCGDACDOPE-XPUUQOCRSA-N	-1	0	366.632	3.526	20	50		FHGDRM
C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	ZINC000825210160	604261186	/nfs/dbraw/zinc/26/11/86/604261186.db2.gz	ILDCFEAVLUXSMV-MJBXVCDLSA-N	-1	0	360.545	3.595	20	50		FHGDRM
CCOc1ccc(CCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000833663708	605247748	/nfs/dbraw/zinc/24/77/48/605247748.db2.gz	DVUPMXJDIPCJIZ-UHFFFAOYSA-N	-1	0	362.813	3.513	20	50		FHGDRM
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)o1	ZINC000833603678	605248975	/nfs/dbraw/zinc/24/89/75/605248975.db2.gz	GVVCLYWAZPJAKE-QMTHXVAHSA-N	-1	0	362.813	3.831	20	50		FHGDRM
C/C(=C/C(=O)NNc1ccccc1C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000833382617	605281913	/nfs/dbraw/zinc/28/19/13/605281913.db2.gz	OZMSBQGMHQPBQD-KHPPLWFESA-N	-1	0	364.323	3.950	20	50		FHGDRM
CC(C)(C(=O)NNc1ccccc1C(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000833411548	605282952	/nfs/dbraw/zinc/28/29/52/605282952.db2.gz	IWLDYCVDHNXMOQ-UHFFFAOYSA-N	-1	0	366.339	3.825	20	50		FHGDRM
O=C([O-])Nc1ccc(C(=O)NNc2cccc3cnccc32)c(Cl)c1	ZINC000834258101	605740346	/nfs/dbraw/zinc/74/03/46/605740346.db2.gz	UJLQEKVSGLEKLZ-UHFFFAOYSA-N	-1	0	356.769	3.735	20	50		FHGDRM
CCCOc1ccc([C@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)cc1	ZINC000833651868	605741992	/nfs/dbraw/zinc/74/19/92/605741992.db2.gz	DZNCBQBMQJOPRU-ZDUSSCGKSA-N	-1	0	357.410	3.561	20	50		FHGDRM
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1	ZINC000830064356	601460027	/nfs/dbraw/zinc/46/00/27/601460027.db2.gz	RGCHIPRWSLUBGP-LQELWAHVSA-N	-1	0	355.346	3.588	20	50		FHGDRM
C[C@H](CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)[O-]	ZINC000827493106	601616728	/nfs/dbraw/zinc/61/67/28/601616728.db2.gz	LPOGKQQPQXOOIJ-HQJQHLMTSA-N	-1	0	370.780	3.748	20	50		FHGDRM
C[C@@H](CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)[O-]	ZINC000827493109	601616738	/nfs/dbraw/zinc/61/67/38/601616738.db2.gz	LPOGKQQPQXOOIJ-WRWORJQWSA-N	-1	0	370.780	3.748	20	50		FHGDRM
COc1ccc(-c2csc(/C(C#N)=C/c3c[nH]c(C(=O)[O-])c3)n2)cc1	ZINC000832124595	601790247	/nfs/dbraw/zinc/79/02/47/601790247.db2.gz	WDRBCPUCMLLMTR-AWNIVKPZSA-N	-1	0	351.387	3.909	20	50		FHGDRM
O=C([O-])[C@H](NNC(=O)c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1	ZINC000833149003	601971997	/nfs/dbraw/zinc/97/19/97/601971997.db2.gz	CLMRSMQZVKXVNP-CYBMUJFWSA-N	-1	0	373.623	3.707	20	50		FHGDRM
CC(C)(C)O[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1	ZINC000833446353	604475335	/nfs/dbraw/zinc/47/53/35/604475335.db2.gz	XCKWKNAVIZJKQJ-INIZCTEOSA-N	-1	0	373.361	3.755	20	50		FHGDRM
Cc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1NC(=O)[O-]	ZINC000830225691	604770703	/nfs/dbraw/zinc/77/07/03/604770703.db2.gz	UBLIZRRBHCPUJD-UHFFFAOYSA-N	-1	0	369.299	3.740	20	50		FHGDRM
CC(C)c1nn(-c2ccc(Br)cc2)cc1/C=C(/C#N)C(=O)[O-]	ZINC000833511803	605026020	/nfs/dbraw/zinc/02/60/20/605026020.db2.gz	GNPYDLGESUCLBF-XFFZJAGNSA-N	-1	0	360.211	3.750	20	50		FHGDRM
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[C@@H]1CCSS1	ZINC000832229201	605150025	/nfs/dbraw/zinc/15/00/25/605150025.db2.gz	XGKCPTUKEIZSNQ-JALIKCBVSA-N	-1	0	372.556	3.880	20	50		FHGDRM
CCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(C(=O)[O-])c2C)cc1	ZINC000833662718	605199800	/nfs/dbraw/zinc/19/98/00/605199800.db2.gz	ABNSTWIPUCPWNH-JYRVWZFOSA-N	-1	0	356.403	3.699	20	50		FHGDRM
C/C(=C\C(=O)NNc1ccccc1C(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000833382665	605282984	/nfs/dbraw/zinc/28/29/84/605282984.db2.gz	PHROGQSWIUHQCZ-PKNBQFBNSA-N	-1	0	364.323	3.950	20	50		FHGDRM
O=C([O-])Nc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)ccc1F	ZINC000834253035	605665112	/nfs/dbraw/zinc/66/51/12/605665112.db2.gz	DIBNVDPJZOPOQR-UHFFFAOYSA-N	-1	0	357.263	3.691	20	50		FHGDRM
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833539100	605731085	/nfs/dbraw/zinc/73/10/85/605731085.db2.gz	KNNTXSXGTLNISZ-VIFPVBQESA-N	-1	0	369.204	3.602	20	50		FHGDRM
Cc1nc(C2CCCCC2)sc1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833755418	605734186	/nfs/dbraw/zinc/73/41/86/605734186.db2.gz	MFTDZHRMIWDUGL-UHFFFAOYSA-N	-1	0	359.451	3.954	20	50		FHGDRM
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833545411	605735323	/nfs/dbraw/zinc/73/53/23/605735323.db2.gz	HTGYTACVOZXPAL-SNVBAGLBSA-N	-1	0	350.827	3.662	20	50		FHGDRM
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1csc2ccccc21	ZINC000833522201	605744007	/nfs/dbraw/zinc/74/40/07/605744007.db2.gz	YVKWJHUHEDUJTM-NSHDSACASA-N	-1	0	355.419	3.987	20	50		FHGDRM
O=C([O-])NCCCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	ZINC000834233729	605900147	/nfs/dbraw/zinc/90/01/47/605900147.db2.gz	DBXMBVDQFJBNCF-UHFFFAOYSA-N	-1	0	354.621	3.528	20	50		FHGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1ccc(Cl)cc1Cl	ZINC000834271995	606073703	/nfs/dbraw/zinc/07/37/03/606073703.db2.gz	IJQVHDDAEPLMAH-UHFFFAOYSA-N	-1	0	354.193	3.769	20	50		FHGDRM
C[C@@H](CCc1ccccc1F)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000827427088	600973257	/nfs/dbraw/zinc/97/32/57/600973257.db2.gz	ABXLOGVDHXKTKL-NSHDSACASA-N	-1	0	361.325	3.606	20	50		FHGDRM
O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CCCC[C@@H]1CCSS1	ZINC000833193581	601490731	/nfs/dbraw/zinc/49/07/31/601490731.db2.gz	CPWTZKZBYWOQPD-RHSMWYFYSA-N	-1	0	365.520	3.911	20	50		FHGDRM
C[C@H](CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)[O-]	ZINC000827493107	601616746	/nfs/dbraw/zinc/61/67/46/601616746.db2.gz	LPOGKQQPQXOOIJ-RDDDGLTNSA-N	-1	0	370.780	3.748	20	50		FHGDRM
Cc1ccccc1CC(=O)NN=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000832977675	601958060	/nfs/dbraw/zinc/95/80/60/601958060.db2.gz	OLRBCBSNLYWMGT-UHFFFAOYSA-N	-1	0	362.385	3.646	20	50		FHGDRM
O=C([O-])[C@@H](NNC(=O)c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1	ZINC000833149004	601971747	/nfs/dbraw/zinc/97/17/47/601971747.db2.gz	CLMRSMQZVKXVNP-ZDUSSCGKSA-N	-1	0	373.623	3.707	20	50		FHGDRM
N#C/C(=C/c1cccc2c1N(C(=O)[O-])CC2)C(=O)Nc1ccccc1Cl	ZINC000831064051	603809189	/nfs/dbraw/zinc/80/91/89/603809189.db2.gz	BOWCUHOOWRSEKX-UVTDQMKNSA-N	-1	0	367.792	3.926	20	50		FHGDRM
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc3c2N(C(=O)[O-])CC3)c(C)c1	ZINC000830352175	603809368	/nfs/dbraw/zinc/80/93/68/603809368.db2.gz	CCYIXNZUDIECBK-BOPFTXTBSA-N	-1	0	361.401	3.890	20	50		FHGDRM
O=C([O-])CCc1csc(NC(=O)CCCC[C@@H]2CCSS2)n1	ZINC000833237700	604728845	/nfs/dbraw/zinc/72/88/45/604728845.db2.gz	ILWHNJYOZZXTDS-LLVKDONJSA-N	-1	0	360.526	3.813	20	50		FHGDRM
O=C([O-])Nc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)ccc1F	ZINC000832821323	604771393	/nfs/dbraw/zinc/77/13/93/604771393.db2.gz	XZSSRHRVPCGRPF-UHFFFAOYSA-N	-1	0	373.262	3.571	20	50		FHGDRM
CCn1cc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c2ccccc21	ZINC000833682960	605247750	/nfs/dbraw/zinc/24/77/50/605247750.db2.gz	YUVHCBVLZBRQBQ-UHFFFAOYSA-N	-1	0	357.797	3.770	20	50		FHGDRM
C[C@H](SCc1ccccc1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833542465	605248990	/nfs/dbraw/zinc/24/89/90/605248990.db2.gz	IXFCETKMUFJCCZ-NSHDSACASA-N	-1	0	364.854	3.803	20	50		FHGDRM
COc1ccc2sc(C(=O)NNc3ccccc3C(=O)[O-])c(C)c2c1	ZINC000833734994	605259498	/nfs/dbraw/zinc/25/94/98/605259498.db2.gz	PRUOONBBOTZFMW-UHFFFAOYSA-N	-1	0	356.403	3.673	20	50		FHGDRM
C[C@H]1CCc2[nH]c3ccc(C(=O)NNc4ccccc4C(=O)[O-])cc3c2C1	ZINC000833616530	605260311	/nfs/dbraw/zinc/26/03/11/605260311.db2.gz	CCMAOXYLAOUALD-LBPRGKRZSA-N	-1	0	363.417	3.748	20	50		FHGDRM
C/C(=C\C(=O)NNc1ccccc1C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000833382620	605281738	/nfs/dbraw/zinc/28/17/38/605281738.db2.gz	OZMSBQGMHQPBQD-ZHACJKMWSA-N	-1	0	364.323	3.950	20	50		FHGDRM
Cc1cc(C(=O)NNc2ccccc2C(F)(F)F)ccc1NC(=O)[O-]	ZINC000829962272	605568321	/nfs/dbraw/zinc/56/83/21/605568321.db2.gz	ZNKULHIKGNEVDK-UHFFFAOYSA-N	-1	0	353.300	3.861	20	50		FHGDRM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CCCC[C@H]3CCSS3)C[C@@H]21	ZINC000834176467	605580935	/nfs/dbraw/zinc/58/09/35/605580935.db2.gz	PMVIJLFKZWHWDT-CBBWQLFWSA-N	-1	0	372.556	3.595	20	50		FHGDRM
O=C([O-])Nc1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	ZINC000834261246	605658449	/nfs/dbraw/zinc/65/84/49/605658449.db2.gz	DQEOETPXVMGLHM-UHFFFAOYSA-N	-1	0	370.287	3.824	20	50		FHGDRM
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833539881	605735630	/nfs/dbraw/zinc/73/56/30/605735630.db2.gz	JHYMRJLIPKCSBI-SECBINFHSA-N	-1	0	369.204	3.602	20	50		FHGDRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCCC[C@H]1CCSS1	ZINC000034269797	948803067	/nfs/dbraw/zinc/80/30/67/948803067.db2.gz	VCFCZDWTUDMBJE-GJZGRUSLSA-N	-1	0	353.509	3.513	20	50		FHGDRM
CCC(CC)(NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C)C(=O)[O-]	ZINC000828820560	600976776	/nfs/dbraw/zinc/97/67/76/600976776.db2.gz	LZSUZQMLDGTVOT-LDADJPATSA-N	-1	0	373.497	3.818	20	50		FHGDRM
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@](C)(CC)CC(=O)[O-])c1C	ZINC000829447735	601133492	/nfs/dbraw/zinc/13/34/92/601133492.db2.gz	QPJKQROFPMGSRX-KDMTZKAISA-N	-1	0	359.470	3.572	20	50		FHGDRM
C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(Cl)s1	ZINC000826072650	601447786	/nfs/dbraw/zinc/44/77/86/601447786.db2.gz	ZDUXOLPYYFSBDY-SSDOTTSWSA-N	-1	0	355.755	3.717	20	50		FHGDRM
O=C([O-])c1cc(OC(=O)c2ccc3ccc(Cl)cc3n2)ccc1[N+](=O)[O-]	ZINC000833352936	601563107	/nfs/dbraw/zinc/56/31/07/601563107.db2.gz	FBNUBVXUSUBLJJ-UHFFFAOYSA-N	-1	0	372.720	3.714	20	50		FHGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1c(Cl)cccc1Cl	ZINC000833062526	601789497	/nfs/dbraw/zinc/78/94/97/601789497.db2.gz	CNDKUEWAZVPBTN-RUDMXATFSA-N	-1	0	350.161	3.565	20	50		FHGDRM
COc1ccc(-c2csc(/C(C#N)=C\c3c[nH]c(C(=O)[O-])c3)n2)cc1	ZINC000832124596	601790278	/nfs/dbraw/zinc/79/02/78/601790278.db2.gz	WDRBCPUCMLLMTR-MLPAPPSSSA-N	-1	0	351.387	3.909	20	50		FHGDRM
O=C([O-])Nc1cc(C(=O)NNc2cccnc2Cl)cc(C(F)(F)F)c1	ZINC000833282522	602144937	/nfs/dbraw/zinc/14/49/37/602144937.db2.gz	XOCCIGFPXYZRMS-UHFFFAOYSA-N	-1	0	374.706	3.601	20	50		FHGDRM
CN(C(=O)CCCC[C@H]1CCSS1)C1CCC(NC(=O)[O-])CC1	ZINC000827753045	603485940	/nfs/dbraw/zinc/48/59/40/603485940.db2.gz	REQWJPOILUBPRK-RUXDESIVSA-N	-1	0	360.545	3.738	20	50		FHGDRM
CCN(CC1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1)C(=O)[O-]	ZINC000827059189	603755717	/nfs/dbraw/zinc/75/57/17/603755717.db2.gz	IDTDZWDJFHMWLT-OAHLLOKOSA-N	-1	0	374.572	3.939	20	50		FHGDRM
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1	ZINC000832273727	604548269	/nfs/dbraw/zinc/54/82/69/604548269.db2.gz	VBMFDECATQXTFN-IGVUGNCQSA-N	-1	0	355.346	3.506	20	50		FHGDRM
O=C([O-])c1ccc(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)cc1Cl	ZINC000833782847	604714071	/nfs/dbraw/zinc/71/40/71/604714071.db2.gz	RDMXCHQXINIZME-KKUKJKQGSA-N	-1	0	372.646	3.930	20	50		FHGDRM
C/C(=C/C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1OC(F)F	ZINC000833381647	605721095	/nfs/dbraw/zinc/72/10/95/605721095.db2.gz	IVSYJXQMNGJXBZ-KHPPLWFESA-N	-1	0	362.332	3.533	20	50		FHGDRM
Cc1ccccc1-c1nc(C(=O)NNc2ccccc2C(=O)[O-])cs1	ZINC000833753196	605724788	/nfs/dbraw/zinc/72/47/88/605724788.db2.gz	NKVVIMQPTVMLOG-UHFFFAOYSA-N	-1	0	353.403	3.574	20	50		FHGDRM
Cc1ccc(-c2ncc(C(=O)NNc3ccccc3C(=O)[O-])s2)c(C)c1	ZINC000833746672	605724969	/nfs/dbraw/zinc/72/49/69/605724969.db2.gz	NILRQHRTPVYEFN-UHFFFAOYSA-N	-1	0	367.430	3.882	20	50		FHGDRM
O=C([O-])Nc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)c(Cl)c1	ZINC000834258607	605738009	/nfs/dbraw/zinc/73/80/09/605738009.db2.gz	ZBEKJCZPTIODHQ-UHFFFAOYSA-N	-1	0	371.727	3.788	20	50		FHGDRM
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cc(C(=O)[O-])ccc2F)cc1	ZINC000833664321	605811733	/nfs/dbraw/zinc/81/17/33/605811733.db2.gz	SBHPFHHFJRMLKC-DHDCSXOGSA-N	-1	0	369.348	3.573	20	50		FHGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2c(Cl)cccc2Cl)c1	ZINC000834267058	605832573	/nfs/dbraw/zinc/83/25/73/605832573.db2.gz	PBEPFJGEYFJZDJ-UHFFFAOYSA-N	-1	0	354.193	3.769	20	50		FHGDRM