smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1C(F)(F)F	ZINC000095494996	185373855	/nfs/dbraw/zinc/37/38/55/185373855.db2.gz	HLSGYZFCTSBISP-UHFFFAOYSA-N	0	2	313.231	3.995	10	5		DHBELN
COc1ccc(C(F)(F)F)cc1-c1ccc(O)c([N+](=O)[O-])c1	ZINC000095494995	185373730	/nfs/dbraw/zinc/37/37/30/185373730.db2.gz	OSCAIMDRKUQTMO-UHFFFAOYSA-N	0	2	313.231	3.995	10	5		DHBELN
Cc1ccc(Oc2ncnc(Nc3ccccn3)c2[N+](=O)[O-])cc1	ZINC000040646860	183113436	/nfs/dbraw/zinc/11/34/36/183113436.db2.gz	ZGHFVIGAEGHAHM-UHFFFAOYSA-N	0	2	323.312	3.624	10	5		DHBELN
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cnc3ccccc3c2)s1	ZINC000584630649	337376874	/nfs/dbraw/zinc/37/68/74/337376874.db2.gz	RKCOWFBTBLGDSE-UHFFFAOYSA-N	0	2	316.298	3.856	10	5		DHBELN
Cc1cccc(Nc2ncnc(Oc3ccccc3)c2[N+](=O)[O-])n1	ZINC000040584799	183106145	/nfs/dbraw/zinc/10/61/45/183106145.db2.gz	LQSVYSHSAAOGJV-UHFFFAOYSA-N	0	2	323.312	3.624	10	5		DHBELN
Cc1cccnc1Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-]	ZINC000040625951	183110621	/nfs/dbraw/zinc/11/06/21/183110621.db2.gz	XXIFFKGLIMBXLR-UHFFFAOYSA-N	0	2	323.312	3.624	10	5		DHBELN
Cc1ccnc(Nc2ncnc(Oc3ccccc3)c2[N+](=O)[O-])c1	ZINC000040588310	183105703	/nfs/dbraw/zinc/10/57/03/183105703.db2.gz	WUAMCRADODEAGP-UHFFFAOYSA-N	0	2	323.312	3.624	10	5		DHBELN