smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c([O-])c(Cl)c2)C1=O	ZINC000409045155	556930288	/nfs/dbraw/zinc/93/02/88/556930288.db2.gz	FKFUBQIGKZLEBK-BJMVGYQFSA-N	-1	2	425.655	4.327	40	10		IICBLM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)c1	ZINC000408780582	556854490	/nfs/dbraw/zinc/85/44/90/556854490.db2.gz	FLSHTDFCHCJLAC-UDWIEESQSA-N	-1	2	444.443	4.236	40	10		IICBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O	ZINC000408960741	556899461	/nfs/dbraw/zinc/89/94/61/556899461.db2.gz	IJDYALMQAHSBKX-CPNJWEJPSA-N	-1	2	444.443	4.182	40	10		IICBLM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)c1	ZINC000408787353	556856792	/nfs/dbraw/zinc/85/67/92/556856792.db2.gz	YJZIBPBBDYMNRN-UDWIEESQSA-N	-1	2	444.443	4.236	40	10		IICBLM
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)c1C	ZINC000408963283	556901882	/nfs/dbraw/zinc/90/18/82/556901882.db2.gz	YSUBNFANOGRZEM-XDHOZWIPSA-N	-1	2	444.443	4.236	40	10		IICBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1	ZINC000408985683	556909159	/nfs/dbraw/zinc/90/91/59/556909159.db2.gz	XOTPUVRMSLIPRF-MOSHPQCFSA-N	-1	2	444.443	4.182	40	10		IICBLM
Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c([O-])c(Cl)c2)C1=O	ZINC000409060380	556937289	/nfs/dbraw/zinc/93/72/89/556937289.db2.gz	ZMAPURZXEGZGFV-NYYWCZLTSA-N	-1	2	425.655	4.327	40	10		IICBLM
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C)c(C(=O)[O-])c4)o3)C2=O)c1C	ZINC000408854841	556871738	/nfs/dbraw/zinc/87/17/38/556871738.db2.gz	JXLOSTFNEIDOCS-XDHOZWIPSA-N	-1	2	444.443	4.236	40	10		IICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000059135307	557815328	/nfs/dbraw/zinc/81/53/28/557815328.db2.gz	XBESWGUXWNHHJV-XDHOZWIPSA-N	-1	2	447.422	4.438	40	10		IICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)cc1C	ZINC000408847768	556869586	/nfs/dbraw/zinc/86/95/86/556869586.db2.gz	RLXLSVPMHAAUNI-UDWIEESQSA-N	-1	2	444.443	4.236	40	10		IICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)cc1C	ZINC000408855635	556871993	/nfs/dbraw/zinc/87/19/93/556871993.db2.gz	FHPDMNFNGKVRAX-AWNIVKPZSA-N	-1	2	449.688	4.091	40	10		IICBLM
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Cl)c([O-])c(Br)c1	ZINC000059135146	557815114	/nfs/dbraw/zinc/81/51/14/557815114.db2.gz	ZPMKFOQJCYDROV-VZUCSPMQSA-N	-1	2	439.624	4.454	40	10		IICBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1	ZINC000408982304	556907977	/nfs/dbraw/zinc/90/79/77/556907977.db2.gz	GKPQMZIXOLTBNW-MOSHPQCFSA-N	-1	2	444.443	4.182	40	10		IICBLM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)c1	ZINC000408788368	556856663	/nfs/dbraw/zinc/85/66/63/556856663.db2.gz	DZIQVTYKQLHQQV-UDWIEESQSA-N	-1	2	444.443	4.236	40	10		IICBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)cc1	ZINC000408986023	556909247	/nfs/dbraw/zinc/90/92/47/556909247.db2.gz	ZDAJANSZELHJTH-QPEQYQDCSA-N	-1	2	449.688	4.037	40	10		IICBLM