smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)cc1	ZINC000408901305	556882647	/nfs/dbraw/zinc/88/26/47/556882647.db2.gz	XAHXJWRXFGSGLW-WJDWOHSUSA-N	-2	3	445.269	3.610	40	10		IHCBHL
COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Cl)c1[O-]	ZINC000409348097	557076161	/nfs/dbraw/zinc/07/61/61/557076161.db2.gz	RBBSDDBBQHEBCU-GHXNOFRVSA-N	-2	3	426.928	3.662	40	10		IHCBHL
O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000409247458	557028908	/nfs/dbraw/zinc/02/89/08/557028908.db2.gz	HLOIMYXTELJVOL-WUXMJOGZSA-N	-2	3	426.803	3.896	40	10		IHCBHL
CCOc1cc(/C=C2/C(=O)[N-]N(c3cccc(Br)c3)C2=O)cc(Cl)c1[O-]	ZINC000016688253	556626298	/nfs/dbraw/zinc/62/62/98/556626298.db2.gz	CUNDHSIWKTZUJC-MLPAPPSSSA-N	-2	3	437.677	3.668	40	10		IHCBHL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2[O-])C1=O	ZINC000408891085	556879015	/nfs/dbraw/zinc/87/90/15/556879015.db2.gz	LEMATGFSGJQOCQ-XYOKQWHBSA-N	-2	3	435.661	3.783	40	10		IHCBHL
Cc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(Br)c3)C(=O)[N-]C2=S)c(C)c1	ZINC000409123391	556962232	/nfs/dbraw/zinc/96/22/32/556962232.db2.gz	GBTPZUWVHFSQGK-MDWZMJQESA-N	-2	3	431.311	3.603	40	10		IHCBHL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1[O-]	ZINC000038161399	569260237	/nfs/dbraw/zinc/26/02/37/569260237.db2.gz	QMLJHTXFMYDECC-WUXMJOGZSA-N	-2	3	435.230	3.649	40	10		IHCBHL
O=C([N-]N1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=S)c1cccs1	ZINC000409339865	557067478	/nfs/dbraw/zinc/06/74/78/557067478.db2.gz	LZFSNYMEQUHBOL-KPKJPENVSA-N	-2	3	441.353	3.762	40	10		IHCBHL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1[O-]	ZINC000035104036	555772984	/nfs/dbraw/zinc/77/29/84/555772984.db2.gz	KCDYPXJVOREWMM-WQLSENKSSA-N	-2	3	437.677	3.668	40	10		IHCBHL
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc([O-])c(Br)c1	ZINC000016428001	556606841	/nfs/dbraw/zinc/60/68/41/556606841.db2.gz	CEQNDDDQWIVFGV-GHXNOFRVSA-N	-2	3	432.186	3.570	40	10		IHCBHL
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)c(Cl)c1	ZINC000409142199	556972850	/nfs/dbraw/zinc/97/28/50/556972850.db2.gz	SBBLAPKRFDWQET-OVCLIPMQSA-N	-2	3	449.897	3.808	40	10		IHCBHL
CCOC(=O)[C@@H](C(=O)c1ccccc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1[O-]	ZINC000004642503	556004870	/nfs/dbraw/zinc/00/48/70/556004870.db2.gz	CODIZTLUWWWEQP-OAQYLSRUSA-N	-2	3	439.489	3.723	40	10		IHCBHL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(OCC)c3)C2=O)cc1	ZINC000408884122	556877756	/nfs/dbraw/zinc/87/77/56/556877756.db2.gz	WATOVCICEJVWIN-OQLLNIDSSA-N	-2	3	430.844	3.509	40	10		IHCBHL
Cc1cc([O-])c(S(=O)(=O)c2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000096300978	557194580	/nfs/dbraw/zinc/19/45/80/557194580.db2.gz	TVULPBNRYHGYNF-UHFFFAOYSA-N	-2	3	437.926	3.988	40	10		IHCBHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)cc1Cl	ZINC000032125501	556535198	/nfs/dbraw/zinc/53/51/98/556535198.db2.gz	DADGNZXHIQRJPN-QPEQYQDCSA-N	-2	3	435.661	3.783	40	10		IHCBHL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c([O-])cc1O	ZINC000083330502	556664006	/nfs/dbraw/zinc/66/40/06/556664006.db2.gz	OHOVVCWUXYHQHZ-WEVVVXLNSA-N	-2	3	437.246	3.671	40	10		IHCBHL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c(Br)c2)C1=O	ZINC000408880681	556878217	/nfs/dbraw/zinc/87/82/17/556878217.db2.gz	HWSAXBUUOPOMTR-WUXMJOGZSA-N	-2	3	435.661	3.783	40	10		IHCBHL
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)c(Cl)c1	ZINC000409146526	556977186	/nfs/dbraw/zinc/97/71/86/556977186.db2.gz	UDDDVTQDLSQRQD-DHDCSXOGSA-N	-2	3	432.910	3.893	40	10		IHCBHL
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc([O-])c(Br)c1	ZINC000408722094	556148468	/nfs/dbraw/zinc/14/84/68/556148468.db2.gz	DJGKTLIRUSZFBH-WUXMJOGZSA-N	-2	3	437.702	3.639	40	10		IHCBHL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])cc3O)C2=O)c1	ZINC000083308389	556663150	/nfs/dbraw/zinc/66/31/50/556663150.db2.gz	AYZCXIVJNICTBM-AWNIVKPZSA-N	-2	3	431.242	3.984	40	10		IHCBHL
CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(OC)c3)C2=O)cc1	ZINC000408900728	556882385	/nfs/dbraw/zinc/88/23/85/556882385.db2.gz	UFQNABCYKJNWIT-YBEGLDIGSA-N	-2	3	444.871	3.900	40	10		IHCBHL
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(OCC)c3)C2=O)cc1	ZINC000408896038	556880848	/nfs/dbraw/zinc/88/08/48/556880848.db2.gz	GLOSXMRURPSXQS-YBEGLDIGSA-N	-2	3	444.871	3.900	40	10		IHCBHL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2[O-])C1=O	ZINC000408898575	556883321	/nfs/dbraw/zinc/88/33/21/556883321.db2.gz	XBXSFWDQIUIDLW-NTUHNPAUSA-N	-2	3	435.661	3.783	40	10		IHCBHL
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(OC)c3)C2=O)cc1	ZINC000408893444	556881810	/nfs/dbraw/zinc/88/18/10/556881810.db2.gz	APBKRQUMJCFOQK-DHDCSXOGSA-N	-2	3	430.844	3.509	40	10		IHCBHL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3[O-])C2=O)cc1OC	ZINC000409135885	556969349	/nfs/dbraw/zinc/96/93/49/556969349.db2.gz	WGKFRDREUGAZOQ-LFIBNONCSA-N	-2	3	444.871	3.505	40	10		IHCBHL
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc([O-])c(Br)c1	ZINC000016399895	556605214	/nfs/dbraw/zinc/60/52/14/556605214.db2.gz	RYTXVGMVQZQKPF-SDQBBNPISA-N	-2	3	432.186	3.570	40	10		IHCBHL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1[O-]	ZINC000016688252	556626070	/nfs/dbraw/zinc/62/60/70/556626070.db2.gz	YOTOLDMPVDKGKC-MLPAPPSSSA-N	-2	3	431.788	3.859	40	10		IHCBHL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1[O-]	ZINC000014132687	557421511	/nfs/dbraw/zinc/42/15/11/557421511.db2.gz	MQUZEBCZJNBRPZ-MDWZMJQESA-N	-2	3	445.269	3.528	40	10		IHCBHL
CCOC(=O)[C@H](C(=O)c1ccccc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1[O-]	ZINC000004642502	556004979	/nfs/dbraw/zinc/00/49/79/556004979.db2.gz	CODIZTLUWWWEQP-NRFANRHFSA-N	-2	3	439.489	3.723	40	10		IHCBHL
O=S(=O)([N-]c1ccc([O-])c2ccccc12)c1ccc(I)cc1	ZINC000226855220	556685441	/nfs/dbraw/zinc/68/54/41/556685441.db2.gz	RAUDVTTXZIXMDS-UHFFFAOYSA-N	-2	3	425.247	3.951	40	10		IHCBHL
Cc1cccc(N2C(=O)/C(=C/c3ccc([O-])c(Br)c3)C(=O)[N-]C2=S)c1C	ZINC000409130039	556967264	/nfs/dbraw/zinc/96/72/64/556967264.db2.gz	TWSWKNSVPQXKLM-MDWZMJQESA-N	-2	3	431.311	3.603	40	10		IHCBHL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc([O-])c(Cl)c3)C2=O)cc1OC	ZINC000409128520	556966523	/nfs/dbraw/zinc/96/65/23/556966523.db2.gz	FHUFVZDXGKCWMO-OQLLNIDSSA-N	-2	3	444.871	3.505	40	10		IHCBHL
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2[O-])C1=O	ZINC000408899411	556881976	/nfs/dbraw/zinc/88/19/76/556881976.db2.gz	PBKIZWYESHAWHA-JYRVWZFOSA-N	-2	3	435.661	3.783	40	10		IHCBHL
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Br)c3)C2=O)cc1	ZINC000408901330	556882570	/nfs/dbraw/zinc/88/25/70/556882570.db2.gz	XFINDDNTEPRWEZ-GDNBJRDFSA-N	-2	3	445.269	3.610	40	10		IHCBHL
CCOc1cc(Br)c(Br)c(C=C2SC(=S)[N-]C2=O)c1[O-]	ZINC000016688119	556626093	/nfs/dbraw/zinc/62/60/93/556626093.db2.gz	QDJPZULXMYRVHM-FPYGCLRLSA-N	-2	3	439.150	3.805	40	10		IHCBHL
COc1ccc(S(=O)(=O)[N-]c2c(C)cc([O-])c(S(=O)(=O)c3ccccc3)c2C)cc1	ZINC000010014003	556322778	/nfs/dbraw/zinc/32/27/78/556322778.db2.gz	FGMQCUYMTMAYEE-UHFFFAOYSA-N	-2	3	447.534	3.651	40	10		IHCBHL