smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc([O-])c(F)c1	ZINC000613523958	460981163	/nfs/dbraw/zinc/98/11/63/460981163.db2.gz	ANCZNDFNTRNOKK-UHFFFAOYSA-N	-2	1	326.667	3.051	20	5		EGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1[O-]	ZINC000021363285	212222525	/nfs/dbraw/zinc/22/25/25/212222525.db2.gz	WZZCPXONNQNSBT-UHFFFAOYSA-N	-2	1	344.348	3.254	20	5		EGBDML
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(F)ccc1[O-]	ZINC000436861922	309778218	/nfs/dbraw/zinc/77/82/18/309778218.db2.gz	MGAZMQCQMISXCO-UHFFFAOYSA-N	-2	1	326.667	3.051	20	5		EGBDML
Cc1coc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc12	ZINC000187081390	144151924	/nfs/dbraw/zinc/15/19/24/144151924.db2.gz	MKKFEDPCCDCRTO-UHFFFAOYSA-N	-2	1	348.336	3.156	20	5		EGBDML
O=C([O-])c1cc(Nc2nc3c(cccc3[O-])s2)cc([N+](=O)[O-])c1	ZINC001176672662	1385654596	/nfs/dbraw/zinc/65/45/96/1385654596.db2.gz	PXSIDARCQXCPTO-UHFFFAOYSA-N	-2	1	331.309	3.352	20	5		EGBDML
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2sccc2c([O-])c1	ZINC000791391407	1308978297	/nfs/dbraw/zinc/97/82/97/1308978297.db2.gz	KSSVUDHJVWYJCJ-UHFFFAOYSA-N	-2	1	330.321	3.473	20	5		EGBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccoc2c1	ZINC000442837394	459044927	/nfs/dbraw/zinc/04/49/27/459044927.db2.gz	NXLZNPVRVPXIIQ-UHFFFAOYSA-N	-2	1	348.336	3.156	20	5		EGBDML
O=C([O-])c1ccc(Nc2nc3c(cccc3[O-])s2)cc1[N+](=O)[O-]	ZINC001174502414	1385114240	/nfs/dbraw/zinc/11/42/40/1385114240.db2.gz	NQIMWZVHVWBHEM-UHFFFAOYSA-N	-2	1	331.309	3.352	20	5		EGBDML
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000024101245	453725786	/nfs/dbraw/zinc/72/57/86/453725786.db2.gz	JILALTCOFMBGJP-UHFFFAOYSA-N	-2	1	342.760	3.063	20	5		EGBDML
O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1[O-]	ZINC000445449460	458051559	/nfs/dbraw/zinc/05/15/59/458051559.db2.gz	OXHQATHJMCSGNP-UHFFFAOYSA-N	-2	1	333.687	3.376	20	5		EGBDML