smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]cncc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210396772	969883872	/nfs/dbraw/zinc/88/38/72/969883872.db2.gz	ZYGRFCQIHWOTAA-UHFFFAOYSA-N	-2	3	248.198	1.540	20	5		BDBDHL
O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1cnco1	ZINC000611294713	344461283	/nfs/dbraw/zinc/46/12/83/344461283.db2.gz	YKRZEZSRJWBKBU-UHFFFAOYSA-N	-2	3	249.182	1.541	20	5		BDBDHL
O=C([N-]c1cnoc1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000236563624	346250703	/nfs/dbraw/zinc/25/07/03/346250703.db2.gz	RTZKNUIZTASIKN-UHFFFAOYSA-N	-2	3	249.182	1.541	20	5		BDBDHL
CC(=O)[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228970605	976602637	/nfs/dbraw/zinc/60/26/37/976602637.db2.gz	ITBNJYBPEUNNQJ-LURJTMIESA-N	-2	3	241.199	1.362	20	5		BDBDHL
O=C(Nc1ccccc1[O-])c1ccc([N+](=O)[O-])[n-]1	ZINC000340123164	182380915	/nfs/dbraw/zinc/38/09/15/182380915.db2.gz	KIFXNLHWEUOUII-UHFFFAOYSA-N	-2	3	247.210	1.881	20	5		BDBDHL
O=C(Nc1cccc([O-])c1)c1ccc([N+](=O)[O-])[n-]1	ZINC000020214366	182372230	/nfs/dbraw/zinc/37/22/30/182372230.db2.gz	UAPMDXRDWVCPTF-UHFFFAOYSA-N	-2	3	247.210	1.881	20	5		BDBDHL
O=C(Nc1ncccc1[O-])c1ccc([N+](=O)[O-])[n-]1	ZINC000341906646	182399940	/nfs/dbraw/zinc/39/99/40/182399940.db2.gz	ZPEXFQLNGINMGN-UHFFFAOYSA-N	-2	3	248.198	1.276	20	5		BDBDHL
CC(=O)[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228970606	976601987	/nfs/dbraw/zinc/60/19/87/976601987.db2.gz	ITBNJYBPEUNNQJ-ZCFIWIBFSA-N	-2	3	241.199	1.362	20	5		BDBDHL