smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCNC(=O)N=C(N)NCCCN1CCN(CCCNC(N)=NC(=O)NCCCCCC)CC1	ZINC000022463220	553742561	/nfs/dbraw/zinc/74/25/61/553742561.db2.gz	OKWNVUAQDQVEOQ-UHFFFAOYSA-N	0	3	538.786	1.982	40	30	in-man	KDEBHN
N=C(N)Nc1nc(CSCCC2=NS(=O)(=O)N=C(CCSCc3csc(NC(=N)N)n3)N2)cs1	ZINC000072131309	553642622	/nfs/dbraw/zinc/64/26/22/553642622.db2.gz	NRRXZFHNRLQONH-UHFFFAOYSA-N	0	3	561.770	1.001	40	30	in-vitro	KDEBHN
C=CCN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@H](OCCOCCOCCOCCOCCOCCOCCOC)[C@@H]3O5	ZINC000095564694	553704617	/nfs/dbraw/zinc/70/46/17/553704617.db2.gz	XNKCCCKFOQNXKV-ZRSCBOBOSA-N	0	3	651.794	1.864	40	30	fda	KDEBHN