smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(Cl)cc(Cl)cc1C=NCc1ccc(-c2nnn[n-]2)cc1F	ZINC000738396057	598296778	/nfs/dbraw/zinc/29/67/78/598296778.db2.gz	FQCNZMQEDHJTNJ-FBCYGCLPSA-N	-2	3	366.183	3.637	20	30		FHEDHL
[O-]c1c(Cl)cc(Cl)cc1C=NCc1ccc(-c2nn[n-]n2)cc1F	ZINC000738396057	598296780	/nfs/dbraw/zinc/29/67/80/598296780.db2.gz	FQCNZMQEDHJTNJ-FBCYGCLPSA-N	-2	3	366.183	3.637	20	30		FHEDHL
N#CC(=C([O-])c1cccc(NC(=O)[O-])c1)c1nc(-c2ccncc2)cs1	ZINC000739074928	603169596	/nfs/dbraw/zinc/16/95/96/603169596.db2.gz	NMXHTPIJXVUXNF-CQSZACIVSA-N	-2	3	364.386	3.785	20	30		FHEDHL
O=C([O-])c1ccc([O-])c(C=NN=C(C(=O)c2ccccc2)c2ccccc2)c1	ZINC000740154978	599905891	/nfs/dbraw/zinc/90/58/91/599905891.db2.gz	KLUKVJANCBBUPW-UHFFFAOYSA-N	-2	3	372.380	3.797	20	30		FHEDHL
Cc1ncc(CO)c(/C=N\[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1[O-]	ZINC000738884841	600365754	/nfs/dbraw/zinc/36/57/54/600365754.db2.gz	FEMLXTNRDJZMPV-TXAUKBGOSA-N	-2	3	370.449	3.520	20	30		FHEDHL
O=C([O-])N[C@H](C/N=C/c1cc(Br)ccc1[O-])c1ccccc1	ZINC000740540744	603370463	/nfs/dbraw/zinc/37/04/63/603370463.db2.gz	UOBJQSNLYYPVMS-UHPUNMKFSA-N	-2	3	363.211	3.583	20	30		FHEDHL
C=CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Cl	ZINC000504721341	943769236	/nfs/dbraw/zinc/76/92/36/943769236.db2.gz	OUIVYXDNBBCUBW-ALCCZGGFSA-N	-2	3	360.797	3.506	20	30		FHEDHL
[O-]c1c(Cl)cc(Cl)cc1C=NCc1cc(-c2nn[n-]n2)ccc1F	ZINC000823727204	599232385	/nfs/dbraw/zinc/23/23/85/599232385.db2.gz	UGDHOSXXEUWSFW-FBCYGCLPSA-N	-2	3	366.183	3.637	20	30		FHEDHL
O=C([O-])N[C@@H](C/N=C/c1cc(Br)ccc1[O-])c1ccccc1	ZINC000740540743	603370647	/nfs/dbraw/zinc/37/06/47/603370647.db2.gz	UOBJQSNLYYPVMS-RMNBPEERSA-N	-2	3	363.211	3.583	20	30		FHEDHL
Cc1ncc(CO)c(/C=N\[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1[O-]	ZINC000738884838	600365837	/nfs/dbraw/zinc/36/58/37/600365837.db2.gz	FEMLXTNRDJZMPV-JHHOAVTDSA-N	-2	3	370.449	3.520	20	30		FHEDHL
O=C([O-])Nc1ccc(CCN=Cc2cc(Br)ccc2[O-])cc1	ZINC000740015423	600365900	/nfs/dbraw/zinc/36/59/00/600365900.db2.gz	LXMWAVSDDGRWPY-VCHYOVAHSA-N	-2	3	363.211	3.906	20	30		FHEDHL
N#CC(=C([O-])c1ccc(NC(=O)[O-])cc1)c1nc(-c2ccncc2)cs1	ZINC000739075906	603169264	/nfs/dbraw/zinc/16/92/64/603169264.db2.gz	VWVRMAGIMWTVMV-AWEZNQCLSA-N	-2	3	364.386	3.785	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1	ZINC000826399738	607982173	/nfs/dbraw/zinc/98/21/73/607982173.db2.gz	DSEYVMUNSMVZPR-AATRIKPKSA-N	-2	3	361.188	3.775	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1	ZINC000826399738	607982174	/nfs/dbraw/zinc/98/21/74/607982174.db2.gz	DSEYVMUNSMVZPR-AATRIKPKSA-N	-2	3	361.188	3.775	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nnn[n-]2)s1	ZINC000826400155	608092273	/nfs/dbraw/zinc/09/22/73/608092273.db2.gz	QOARHYAEZQPMJO-OWOJBTEDSA-N	-2	3	367.217	3.837	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nn[n-]n2)s1	ZINC000826400155	608092274	/nfs/dbraw/zinc/09/22/74/608092274.db2.gz	QOARHYAEZQPMJO-OWOJBTEDSA-N	-2	3	367.217	3.837	20	30		FHEDHL
COc1cc(C=CC(=O)c2sccc2[O-])cc(Br)c1[O-]	ZINC000588495765	935145670	/nfs/dbraw/zinc/14/56/70/935145670.db2.gz	QOOHUZIISRUGHZ-IHWYPQMZSA-N	-2	3	355.209	3.827	20	30		FHEDHL
N#CC(=C([O-])c1cccc(NC(=O)[O-])c1)c1nc(-c2ccncc2)cs1	ZINC000739074927	603169697	/nfs/dbraw/zinc/16/96/97/603169697.db2.gz	NMXHTPIJXVUXNF-AWEZNQCLSA-N	-2	3	364.386	3.785	20	30		FHEDHL
Cc1ncc(CO)c(/C=N/[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1[O-]	ZINC000738884839	600365791	/nfs/dbraw/zinc/36/57/91/600365791.db2.gz	FEMLXTNRDJZMPV-RIDKEVFESA-N	-2	3	370.449	3.520	20	30		FHEDHL
O=C([O-])Nc1ccc(CCN=Cc2cc(Br)ccc2[O-])cc1	ZINC000740015424	600365617	/nfs/dbraw/zinc/36/56/17/600365617.db2.gz	LXMWAVSDDGRWPY-ZDLGFXPLSA-N	-2	3	363.211	3.906	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nnn[n-]2)s1	ZINC000826400156	608092229	/nfs/dbraw/zinc/09/22/29/608092229.db2.gz	QOARHYAEZQPMJO-UPHRSURJSA-N	-2	3	367.217	3.837	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nn[n-]n2)s1	ZINC000826400156	608092230	/nfs/dbraw/zinc/09/22/30/608092230.db2.gz	QOARHYAEZQPMJO-UPHRSURJSA-N	-2	3	367.217	3.837	20	30		FHEDHL
N#CC(=C([O-])c1ccc(NC(=O)[O-])cc1)c1nc(-c2ccncc2)cs1	ZINC000739075909	603169348	/nfs/dbraw/zinc/16/93/48/603169348.db2.gz	VWVRMAGIMWTVMV-CQSZACIVSA-N	-2	3	364.386	3.785	20	30		FHEDHL
N#CC(=C([O-])c1ccc(CNC(=O)[O-])cc1)c1nc2cc(F)ccc2s1	ZINC000740303060	602479616	/nfs/dbraw/zinc/47/96/16/602479616.db2.gz	GEMANQKEVMWGHM-CYBMUJFWSA-N	-2	3	369.377	3.693	20	30		FHEDHL
O=C([O-])N[C@@H](C/N=C\c1cc(Br)ccc1[O-])c1ccccc1	ZINC000740540745	603370600	/nfs/dbraw/zinc/37/06/00/603370600.db2.gz	UOBJQSNLYYPVMS-WXARJGPPSA-N	-2	3	363.211	3.583	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1	ZINC000826399739	607982160	/nfs/dbraw/zinc/98/21/60/607982160.db2.gz	DSEYVMUNSMVZPR-WAYWQWQTSA-N	-2	3	361.188	3.775	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1	ZINC000826399739	607982161	/nfs/dbraw/zinc/98/21/61/607982161.db2.gz	DSEYVMUNSMVZPR-WAYWQWQTSA-N	-2	3	361.188	3.775	20	30		FHEDHL
Cc1ncc(CO)c(/C=N/[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1[O-]	ZINC000738884843	600365577	/nfs/dbraw/zinc/36/55/77/600365577.db2.gz	FEMLXTNRDJZMPV-TYLRVVQJSA-N	-2	3	370.449	3.520	20	30		FHEDHL
COc1ccc([C@@H](CC(=O)[O-])/N=C\c2cc(Cl)ccc2[O-])cc1OC	ZINC000737948497	600494348	/nfs/dbraw/zinc/49/43/48/600494348.db2.gz	IUGNVAQECXJBTH-IPZKOZABSA-N	-2	3	363.797	3.698	20	30		FHEDHL
[O-]c1c(Cl)cc(Cl)cc1C=NCc1ccc(-c2nnn[n-]2)cc1F	ZINC000738396061	598296968	/nfs/dbraw/zinc/29/69/68/598296968.db2.gz	FQCNZMQEDHJTNJ-GXHLCREISA-N	-2	3	366.183	3.637	20	30		FHEDHL
[O-]c1c(Cl)cc(Cl)cc1C=NCc1ccc(-c2nn[n-]n2)cc1F	ZINC000738396061	598296969	/nfs/dbraw/zinc/29/69/69/598296969.db2.gz	FQCNZMQEDHJTNJ-GXHLCREISA-N	-2	3	366.183	3.637	20	30		FHEDHL
O=C([O-])N1CCc2cc(N=Cc3cc(Br)ccc3[O-])ccc21	ZINC000740530449	602232255	/nfs/dbraw/zinc/23/22/55/602232255.db2.gz	XNJHXMOLSZKBHP-UHFFFAOYSA-N	-2	3	361.195	3.946	20	30		FHEDHL
COc1ccc([C@H](CC(=O)[O-])/N=C/c2cc(Cl)ccc2[O-])cc1OC	ZINC000737948482	600494354	/nfs/dbraw/zinc/49/43/54/600494354.db2.gz	IUGNVAQECXJBTH-ANKPHQHTSA-N	-2	3	363.797	3.698	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1	ZINC000826400350	607982072	/nfs/dbraw/zinc/98/20/72/607982072.db2.gz	WMELPAVUKUXLCP-SNAWJCMRSA-N	-2	3	361.188	3.775	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1	ZINC000826400350	607982073	/nfs/dbraw/zinc/98/20/73/607982073.db2.gz	WMELPAVUKUXLCP-SNAWJCMRSA-N	-2	3	361.188	3.775	20	30		FHEDHL
COc1ccc([C@H](CC(=O)[O-])/N=C\c2cc(Cl)ccc2[O-])cc1OC	ZINC000737948488	600494262	/nfs/dbraw/zinc/49/42/62/600494262.db2.gz	IUGNVAQECXJBTH-FHOUHHFSSA-N	-2	3	363.797	3.698	20	30		FHEDHL
C=CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Cl	ZINC000504721342	943769195	/nfs/dbraw/zinc/76/91/95/943769195.db2.gz	OUIVYXDNBBCUBW-FNORWQNLSA-N	-2	3	360.797	3.506	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1	ZINC000826400349	607982260	/nfs/dbraw/zinc/98/22/60/607982260.db2.gz	WMELPAVUKUXLCP-PLNGDYQASA-N	-2	3	361.188	3.775	20	30		FHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1	ZINC000826400349	607982261	/nfs/dbraw/zinc/98/22/61/607982261.db2.gz	WMELPAVUKUXLCP-PLNGDYQASA-N	-2	3	361.188	3.775	20	30		FHEDHL
[O-]c1c(Cl)cc(Cl)cc1C=Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000738398191	598581553	/nfs/dbraw/zinc/58/15/53/598581553.db2.gz	VMOYCPWNVGHSNK-UHFFFAOYSA-N	-2	3	352.156	3.769	20	30		FHEDHL
[O-]c1c(Cl)cc(Cl)cc1C=Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000738398191	598581554	/nfs/dbraw/zinc/58/15/54/598581554.db2.gz	VMOYCPWNVGHSNK-UHFFFAOYSA-N	-2	3	352.156	3.769	20	30		FHEDHL
COc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc(Br)c1[O-]	ZINC000255398650	933924097	/nfs/dbraw/zinc/92/40/97/933924097.db2.gz	QMJKRFSVPGOGHE-RQOWECAXSA-N	-2	3	367.170	3.904	20	30		FHEDHL
CCc1cc(=O)[n-]c(-c2cccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])c2)n1	ZINC000255617745	939007711	/nfs/dbraw/zinc/00/77/11/939007711.db2.gz	LIUGAMTVNATJSH-UHFFFAOYSA-N	-2	3	364.361	3.776	20	30		FHEDHL
[O-]c1c(Cl)cc(Cl)cc1C=NCc1cc(-c2nn[n-]n2)ccc1F	ZINC000823727205	599232069	/nfs/dbraw/zinc/23/20/69/599232069.db2.gz	UGDHOSXXEUWSFW-GXHLCREISA-N	-2	3	366.183	3.637	20	30		FHEDHL
O=C([O-])N[C@H](C/N=C\c1cc(Br)ccc1[O-])c1ccccc1	ZINC000740540742	603370720	/nfs/dbraw/zinc/37/07/20/603370720.db2.gz	UOBJQSNLYYPVMS-BBSXFRJVSA-N	-2	3	363.211	3.583	20	30		FHEDHL
N#CC(=C([O-])c1ccc(CNC(=O)[O-])cc1)c1nc2cc(F)ccc2s1	ZINC000740303065	602479691	/nfs/dbraw/zinc/47/96/91/602479691.db2.gz	GEMANQKEVMWGHM-ZDUSSCGKSA-N	-2	3	369.377	3.693	20	30		FHEDHL
O=C(/C=C\c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc([O-])cc1[O-]	ZINC000255454841	934943266	/nfs/dbraw/zinc/94/32/66/934943266.db2.gz	NTDBFRMVVBONPA-KTAJNNJTSA-N	-2	3	351.261	3.504	20	30		FHEDHL
COc1ccc([C@@H](CC(=O)[O-])/N=C/c2cc(Cl)ccc2[O-])cc1OC	ZINC000737948486	600494455	/nfs/dbraw/zinc/49/44/55/600494455.db2.gz	IUGNVAQECXJBTH-DGURAOSJSA-N	-2	3	363.797	3.698	20	30		FHEDHL