smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H](CC(=O)[O-])c1c2c(c([O-])c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2	ZINC000005567795	560202521	/nfs/dbraw/zinc/20/25/21/560202521.db2.gz	JZWLSXINEVHWEP-XQQFMLRXSA-N	-2	3	388.460	4.535	40	0	biogenic,in-vitro	GJABHL
CCC[C@H](CC(=O)[O-])c1c2c(c([O-])c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2	ZINC000001588843	560182729	/nfs/dbraw/zinc/18/27/29/560182729.db2.gz	JZWLSXINEVHWEP-RWMBFGLXSA-N	-2	3	388.460	4.535	40	0	biogenic,in-vitro	GJABHL
CCc1nc(SC(=Cc2ccc(-c3cc(Cl)ccc3C)o2)C(=O)[O-])n[n-]1	ZINC000213391371	570963588	/nfs/dbraw/zinc/96/35/88/570963588.db2.gz	HHTTVRRDOFEERJ-DHDCSXOGSA-N	-2	3	389.864	4.807	40	0		GJABHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2cccc(Cl)c2C)o1)c1c(C)[n-][nH]c1=O	ZINC000096193504	208283351	/nfs/dbraw/zinc/28/33/51/208283351.db2.gz	MFAULKHZYYELGI-UHFFFAOYSA-N	-2	3	398.850	4.563	40	0		GJABHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccc(C)c(Cl)c2)o1)c1c(C)[n-][nH]c1=O	ZINC000096193501	222397289	/nfs/dbraw/zinc/39/72/89/222397289.db2.gz	GDZGCYVXZMJGSJ-UHFFFAOYSA-N	-2	3	398.850	4.563	40	0		GJABHL
CCC[C@H](CC(=O)[O-])c1c2c(c([O-])c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2	ZINC000005567798	560202507	/nfs/dbraw/zinc/20/25/07/560202507.db2.gz	JZWLSXINEVHWEP-YNEHKIRRSA-N	-2	3	388.460	4.535	40	0	biogenic,in-vitro	GJABHL
CCC[C@H](CC(=O)[O-])c1c2c(c([O-])c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2	ZINC000014557640	221312218	/nfs/dbraw/zinc/31/22/18/221312218.db2.gz	JZWLSXINEVHWEP-JHJVBQTASA-N	-2	3	388.460	4.535	40	0	biogenic,in-vitro	GJABHL
CC(C)(c1ccc([O-])c(Br)c1)c1ccc([O-])c(Br)c1	ZINC000004654861	560199333	/nfs/dbraw/zinc/19/93/33/560199333.db2.gz	CKNCVRMXCLUOJI-UHFFFAOYSA-N	-2	3	386.083	4.949	40	0	in-vitro	GJABHL
CCC[C@H](CC(=O)[O-])c1c2c(c([O-])c3c1O[C@@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2	ZINC000033505346	560089085	/nfs/dbraw/zinc/08/90/85/560089085.db2.gz	JZWLSXINEVHWEP-FRRDWIJNSA-N	-2	3	388.460	4.535	40	0	biogenic,in-vitro	GJABHL
CCC[C@@H](CC(=O)[O-])c1c2c(c([O-])c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2	ZINC000005567799	560202542	/nfs/dbraw/zinc/20/25/42/560202542.db2.gz	JZWLSXINEVHWEP-AVGNSLFASA-N	-2	3	388.460	4.535	40	0	biogenic,in-vitro	GJABHL