smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1[O-]	ZINC000408885911	560649896	/nfs/dbraw/zinc/64/98/96/560649896.db2.gz	GQWNFQFOFROGIV-RIYZIHGNSA-N	-2	3	400.818	3.419	40	10		HGCBHL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1[O-]	ZINC000002773510	132257742	/nfs/dbraw/zinc/25/77/42/132257742.db2.gz	PEMHJJPBCXPGKK-LFYBBSHMSA-N	-2	3	407.209	3.374	40	10		HGCBHL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)c1C	ZINC000408900216	560651181	/nfs/dbraw/zinc/65/11/81/560651181.db2.gz	UCIPOTYLCHYYKO-NTEUORMPSA-N	-2	3	415.243	3.438	40	10		HGCBHL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)cc1	ZINC000409337783	560712455	/nfs/dbraw/zinc/71/24/55/560712455.db2.gz	VRFIPYYITYRLGR-GDNBJRDFSA-N	-2	3	415.243	3.384	40	10		HGCBHL
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1[O-]	ZINC000408889786	560650119	/nfs/dbraw/zinc/65/01/19/560650119.db2.gz	JCZRBUMHGPLRSC-DHZHZOJOSA-N	-2	3	421.634	3.475	40	10		HGCBHL
CC(=O)[N-]C1=NC(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)S1	ZINC000408755089	557817284	/nfs/dbraw/zinc/81/72/84/557817284.db2.gz	PRGVELDPWFRWAT-WTKPLQERSA-N	-2	3	420.082	3.024	40	10		HGCBHL
Cc1ccc(Nc2ccc([O-])c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)[O-]	ZINC000068601159	558863689	/nfs/dbraw/zinc/86/36/89/558863689.db2.gz	WZGMWHQPLBARPK-UHFFFAOYSA-N	-2	3	409.419	3.466	40	10		HGCBHL
Cc1cc([O-])c(S(=O)(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000096300974	559109011	/nfs/dbraw/zinc/10/90/11/559109011.db2.gz	OKEJHBIOFWQNMW-UHFFFAOYSA-N	-2	3	403.481	3.334	40	10		HGCBHL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1[O-]	ZINC000016195032	558777870	/nfs/dbraw/zinc/77/78/70/558777870.db2.gz	YLDAHCGVPWIFRG-XGICHPGQSA-N	-2	3	417.761	3.469	40	10		HGCBHL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1[O-]	ZINC000006354863	560741286	/nfs/dbraw/zinc/74/12/86/560741286.db2.gz	HVTZPXVHJWXMSG-MDWZMJQESA-N	-2	3	400.818	3.419	40	10		HGCBHL
CCc1nc(SC(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])n[n-]1	ZINC000007342605	569359996	/nfs/dbraw/zinc/35/99/96/569359996.db2.gz	TXKJRYAMZKDARR-RVDMUPIBSA-N	-2	3	403.464	3.483	40	10		HGCBHL
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1[O-]	ZINC000408890248	560650195	/nfs/dbraw/zinc/65/01/95/560650195.db2.gz	QHYJIZWUOHTLID-JYRVWZFOSA-N	-2	3	402.859	3.276	40	10		HGCBHL
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1[O-]	ZINC000408893103	560651045	/nfs/dbraw/zinc/65/10/45/560651045.db2.gz	FMPMQFWOEUQOKH-NTUHNPAUSA-N	-2	3	421.634	3.475	40	10		HGCBHL
CCOc1cccc(N2C(=O)/C(=C/c3ccc([O-])c(Cl)c3)C(=O)[N-]C2=S)c1	ZINC000408781864	560641509	/nfs/dbraw/zinc/64/15/09/560641509.db2.gz	FLSHATUOXMTRFF-RIYZIHGNSA-N	-2	3	402.859	3.276	40	10		HGCBHL
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S1	ZINC000409090482	560675307	/nfs/dbraw/zinc/67/53/07/560675307.db2.gz	PRGVELDPWFRWAT-RUDMXATFSA-N	-2	3	420.082	3.024	40	10		HGCBHL
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)c1	ZINC000408897419	560651571	/nfs/dbraw/zinc/65/15/71/560651571.db2.gz	WUSKNSVUWUZMRT-NTEUORMPSA-N	-2	3	415.243	3.438	40	10		HGCBHL
CCCc1nc(SC(=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)[O-])n[n-]1	ZINC000007342369	569360048	/nfs/dbraw/zinc/36/00/48/569360048.db2.gz	BHDHNFFBXWTLOA-RVDMUPIBSA-N	-2	3	403.464	3.483	40	10		HGCBHL
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1[O-]	ZINC000408916320	560654246	/nfs/dbraw/zinc/65/42/46/560654246.db2.gz	BUVNJYCPEGLTFY-QPEQYQDCSA-N	-2	3	420.849	3.415	40	10		HGCBHL
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Br)c3)C2=O)c1	ZINC000408890233	560650183	/nfs/dbraw/zinc/65/01/83/560650183.db2.gz	QCZOVCXKOIADAF-MDWZMJQESA-N	-2	3	415.243	3.438	40	10		HGCBHL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1[O-]	ZINC000408891761	560650865	/nfs/dbraw/zinc/65/08/65/560650865.db2.gz	UXJDZKHNWBBORP-NTUHNPAUSA-N	-2	3	400.818	3.337	40	10		HGCBHL
COc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1[O-]	ZINC000038172451	569360837	/nfs/dbraw/zinc/36/08/37/569360837.db2.gz	IFPLXISMJTYRJP-VZUCSPMQSA-N	-2	3	421.203	3.259	40	10		HGCBHL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c(Br)c1[O-]	ZINC000005681287	557668573	/nfs/dbraw/zinc/66/85/73/557668573.db2.gz	JDFBHRBGWUHWSQ-UHFFFAOYSA-N	-2	3	401.238	3.481	40	10		HGCBHL
COc1nccnc1[N-]S(=O)(=O)c1ccc(NCc2cc(Cl)ccc2[O-])cc1	ZINC000006088720	569051916	/nfs/dbraw/zinc/05/19/16/569051916.db2.gz	FAQMQTALWQLPRE-UHFFFAOYSA-N	-2	3	420.878	3.257	40	10		HGCBHL
Cc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(Br)c3)C(=O)[N-]C2=S)cc1	ZINC000408740274	557806195	/nfs/dbraw/zinc/80/61/95/557806195.db2.gz	FGHDNWKLHHIPIJ-MDWZMJQESA-N	-2	3	417.284	3.294	40	10		HGCBHL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2[O-])C1=O	ZINC000408888337	560649968	/nfs/dbraw/zinc/64/99/68/560649968.db2.gz	ZGYRAGQZKGYLHG-UKTHLTGXSA-N	-2	3	401.216	3.130	40	10		HGCBHL
Cc1ccccc1N1C(=O)/C(=C/c2ccc([O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000409242901	560702630	/nfs/dbraw/zinc/70/26/30/560702630.db2.gz	PQDJBLJGYDHWKL-XYOKQWHBSA-N	-2	3	417.284	3.294	40	10		HGCBHL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)c1	ZINC000408890484	560650146	/nfs/dbraw/zinc/65/01/46/560650146.db2.gz	UMUFRAPHOUKWTK-NTEUORMPSA-N	-2	3	401.216	3.130	40	10		HGCBHL
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc([O-])c(Br)c1	ZINC000408918248	560654445	/nfs/dbraw/zinc/65/44/45/560654445.db2.gz	IADOSOQDIUPMKB-GHXNOFRVSA-N	-2	3	421.247	3.125	40	10		HGCBHL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1[O-]	ZINC000016195031	558777878	/nfs/dbraw/zinc/77/78/78/558777878.db2.gz	YSXOHHRIZZWREZ-SDQBBNPISA-N	-2	3	417.761	3.469	40	10		HGCBHL
CCOc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000408778553	560640808	/nfs/dbraw/zinc/64/08/08/560640808.db2.gz	HCFJLIVOZJNSCA-NTEUORMPSA-N	-2	3	402.859	3.276	40	10		HGCBHL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1[O-]	ZINC000035177774	569360737	/nfs/dbraw/zinc/36/07/37/569360737.db2.gz	MDQJIWACRLJGTO-XFFZJAGNSA-N	-2	3	423.650	3.278	40	10		HGCBHL
O=C1[N-]C(=S)S/C1=C\c1cc(Br)c([O-])c(Br)c1[O-]	ZINC000408730011	557789450	/nfs/dbraw/zinc/78/94/50/557789450.db2.gz	DCNFYMXGRKDTTK-DJWKRKHSSA-N	-3	3	411.096	3.112	40	10		HGCBHL
O=C1[N-]C(=S)S/C1=C\c1cc(Br)c([O-])c(Br)c1O	ZINC000408730011	557789451	/nfs/dbraw/zinc/78/94/51/557789451.db2.gz	DCNFYMXGRKDTTK-DJWKRKHSSA-N	-2	3	411.096	3.112	40	10		HGCBHL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1[O-]	ZINC000033321744	568696898	/nfs/dbraw/zinc/69/68/98/568696898.db2.gz	KJCSBHOKDDZHHZ-JYRVWZFOSA-N	-2	3	403.232	3.015	40	10		HGCBHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)cc1	ZINC000408778558	560640845	/nfs/dbraw/zinc/64/08/45/560640845.db2.gz	HFQZJOWUGKZFNJ-NTEUORMPSA-N	-2	3	401.216	3.130	40	10		HGCBHL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2[O-])C1=O	ZINC000408893705	560650387	/nfs/dbraw/zinc/65/03/87/560650387.db2.gz	GWLFDXOJRYANBD-UVTDQMKNSA-N	-2	3	415.243	3.384	40	10		HGCBHL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)c1	ZINC000408897325	560651589	/nfs/dbraw/zinc/65/15/89/560651589.db2.gz	IVZBHQYZUMDURB-OQLLNIDSSA-N	-2	3	415.243	3.438	40	10		HGCBHL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Br)c3)C2=O)c1	ZINC000408740154	557806139	/nfs/dbraw/zinc/80/61/39/557806139.db2.gz	IYSXLDYKBZKQTN-MDWZMJQESA-N	-2	3	401.216	3.130	40	10		HGCBHL
O=C1c2c([O-])ccc([N+](=O)[O-])c2C(=O)c2c([O-])ccc(Nc3cccc(CO)c3)c21	ZINC000035362670	558790749	/nfs/dbraw/zinc/79/07/49/558790749.db2.gz	JKKUOQZOESABJX-UHFFFAOYSA-N	-2	3	406.350	3.017	40	10		HGCBHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)cc1C	ZINC000408850930	560647244	/nfs/dbraw/zinc/64/72/44/560647244.db2.gz	GNCPKRCQXVCSTK-OQLLNIDSSA-N	-2	3	415.243	3.438	40	10		HGCBHL
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S1	ZINC000409092550	560674415	/nfs/dbraw/zinc/67/44/15/560674415.db2.gz	WYUPIQJTGCXCSG-YCRREMRBSA-N	-2	3	420.082	3.024	40	10		HGCBHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)c(C)c1	ZINC000408888633	560649988	/nfs/dbraw/zinc/64/99/88/560649988.db2.gz	YEASRJIENAUFPR-NTEUORMPSA-N	-2	3	415.243	3.438	40	10		HGCBHL
Cn1c(=O)c(C2=NNC(=O)C2=Cc2c([O-])ccc3ccccc32)c([O-])c2ccccc21	ZINC000100247299	559133270	/nfs/dbraw/zinc/13/32/70/559133270.db2.gz	KYEFUWLNNOXQMP-ATVHPVEESA-N	-2	3	411.417	3.020	40	10		HGCBHL
CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3[O-])C(=O)[N-]C2=S)c1	ZINC000408740457	557806341	/nfs/dbraw/zinc/80/63/41/557806341.db2.gz	KUPPLKIBFSVXHK-DHDCSXOGSA-N	-2	3	402.859	3.276	40	10		HGCBHL