smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2ccc(N3CCN(C)CC3)cc2)c1	ZINC000001908121	132248533	/nfs/dbraw/zinc/24/85/33/132248533.db2.gz	YGUVOOUQYJTATD-XMMPIXPASA-N	0	1	404.558	3.875	1	30		HHEFMN
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N=C([O-])NC(C)(C)C)cc1	ZINC000013589648	560219904	/nfs/dbraw/zinc/21/99/04/560219904.db2.gz	SILRUCMXYIKULW-UHFFFAOYSA-N	0	1	406.464	3.638	1	30	in-vitro	HHEFMN
CCCCCCCCCCCC(=O)NCCO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000043834607	717129559	/nfs/dbraw/zinc/12/95/59/717129559.db2.gz	RBFOVDFSTRUXDL-UHFFFAOYSA-O	0	1	409.528	3.863	1	30		HHEFMN
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2([C@H](N)C=O)[C@@H]1CCC[C@@H]([C@H](O)CCCO)C1	ZINC000085544878	291246796	/nfs/dbraw/zinc/24/67/96/291246796.db2.gz	PJPMWSOGDJOBPG-UWQKLZMVSA-N	0	1	403.607	3.697	1	30	biogenic,in-vitro	HHEFMN