smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(-c2ccc(C(=O)[N-]C(C)=O)o2)c([N+](=O)[O-])c1	ZINC000085346816	426249711	/nfs/dbraw/zinc/24/97/11/426249711.db2.gz	LQXFKUSBEKJZNV-UHFFFAOYSA-N	-1	3	318.285	2.530	30	5		DFBCHM
CC(=O)[N-]C(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000085346807	275778427	/nfs/dbraw/zinc/77/84/27/275778427.db2.gz	XWTBJGIOYBSROK-UHFFFAOYSA-N	-1	3	308.677	2.785	30	5		DFBCHM
CCOc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)[N-]C(C)=O)o1	ZINC000085346803	192494412	/nfs/dbraw/zinc/49/44/12/192494412.db2.gz	XCTNJMQZDCZMRG-UHFFFAOYSA-N	-1	3	318.285	2.530	30	5		DFBCHM
CC(=O)[N-]C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000085346798	426250269	/nfs/dbraw/zinc/25/02/69/426250269.db2.gz	NJLYKNAXJPPESP-UHFFFAOYSA-N	-1	3	308.677	2.785	30	5		DFBCHM