smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1[O-]	39084624	169291735	/nfs/dbraw/zinc/29/17/35/169291735.db2.gz	HCECBEAVZMFEMD-UHFFFAOYSA-N	-2	1	198.134	0.581	50	5		ACBAML
O=C([O-])c1cc([O-])cc([N+](=O)[O-])c1	336746	169357047	/nfs/dbraw/zinc/35/70/47/169357047.db2.gz	ZVLLYIMPDTXFNC-UHFFFAOYSA-N	-2	1	183.119	0.999	50	5	in-vitro	ACBAML
O=c1[n-]c(C2CC2)nc([O-])c1[N+](=O)[O-]	117019970	171156051	/nfs/dbraw/zinc/15/60/51/171156051.db2.gz	LODQXLJNUJXOHS-UHFFFAOYSA-N	-2	1	197.150	0.673	50	5	in-vitro	ACBAML
Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	5156367	342999164	/nfs/dbraw/zinc/99/91/64/342999164.db2.gz	MRYKPLCGITXZRW-UHFFFAOYSA-N	-2	1	171.112	0.104	50	5		ACBAML