smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(-c2[nH]c3ccc(N4CC[NH2+]CC4)cc3[nH+]2)cc1	ZINC000059381688	425898671	/nfs/dbraw/zinc/89/86/71/425898671.db2.gz	DOCSJNIKBFEWBG-UHFFFAOYSA-N	2	2	323.356	2.548	40	5		DFBBLP
O=[N+]([O-])c1cccc(OCC[NH+]2CCC([NH+]3CCCC3)CC2)c1	ZINC000084374565	426237195	/nfs/dbraw/zinc/23/71/95/426237195.db2.gz	JDYCDNLUMUWOOM-UHFFFAOYSA-N	2	2	319.405	2.534	40	5		DFBBLP
C[n+]1c2ccccc2nc2ccc(NCCc3c[nH]c[nH+]3)cc21	ZINC000004147285	181079107	/nfs/dbraw/zinc/07/91/07/181079107.db2.gz	VSPNFEFQPWLNTK-UHFFFAOYSA-O	2	2	304.377	2.590	40	5		DFBBLP
C[n+]1c2ccccc2nc2ccc(NCCc3c[nH+]c[nH]3)cc21	ZINC000004147285	181079109	/nfs/dbraw/zinc/07/91/09/181079109.db2.gz	VSPNFEFQPWLNTK-UHFFFAOYSA-O	2	2	304.377	2.590	40	5		DFBBLP