smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(C)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c43	ZINC000095485957	560061959	/nfs/dbraw/zinc/06/19/59/560061959.db2.gz	WIDSIKIEQMLLRU-UHFFFAOYSA-N	0	2	328.276	2.522	1	5	biogenic,in-vitro	EFBFLN
O=C1NC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3O)o2)S1	ZINC000035962268	213053333	/nfs/dbraw/zinc/05/33/33/213053333.db2.gz	LHLYMMBFSIKWMS-WDZFZDKYSA-N	0	2	332.293	2.884	1	5		EFBFLN
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000005260133	210427486	/nfs/dbraw/zinc/42/74/86/210427486.db2.gz	YOCXYMXHTWRRSO-UHFFFAOYSA-N	0	2	337.313	2.612	1	5		EFBFLN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccc3ccccc32)cc1	ZINC000103279465	204072305	/nfs/dbraw/zinc/07/23/05/204072305.db2.gz	CPLCAXMQQYCQNV-UHFFFAOYSA-N	0	2	329.337	2.944	1	5		EFBFLN
O=c1nc2[nH]c3ccnc(-c4ccc(O)c([N+](=O)[O-])c4)c3cc-2s1	ZINC000013741979	518203150	/nfs/dbraw/zinc/20/31/50/518203150.db2.gz	ANHWTEGPJJZDPE-UHFFFAOYSA-N	0	2	340.320	2.814	1	5		EFBFLN
O=c1nc2n(-c3ccccc3F)c3cccc(Cl)c3cc-2c(=O)[nH]1	ZINC000028640850	212628847	/nfs/dbraw/zinc/62/88/47/212628847.db2.gz	FTZJPVACCUYPRH-UHFFFAOYSA-N	0	2	341.729	2.971	1	5		EFBFLN