smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CCc2c1ccc([N+](=O)[O-])c2O	39112314	169376721	/nfs/dbraw/zinc/37/67/21/169376721.db2.gz	SRGZONRVRLGAEH-UHFFFAOYSA-N	0	2	193.158	1.429	20	5		ADBDLN
O=[N+]([O-])c1cc(O)c2c[nH]nc2c1	14983077	171029072	/nfs/dbraw/zinc/02/90/72/171029072.db2.gz	FWVZVYOJGUIMCP-UHFFFAOYSA-N	0	2	179.135	1.177	20	5		ADBDLN
O=[N+]([O-])c1c(O)ccc2ncccc12	1513052	171213709	/nfs/dbraw/zinc/21/37/09/171213709.db2.gz	VNTMHRXHQYOVLK-UHFFFAOYSA-N	0	2	190.158	1.849	20	5		ADBDLN
Cc1cc(O)c(F)cc1[N+](=O)[O-]	91364313	343677467	/nfs/dbraw/zinc/67/74/67/343677467.db2.gz	SPJZXYAUBGEMBX-UHFFFAOYSA-N	0	2	171.127	1.748	20	5	in-vitro	ADBDLN
Cc1cc(O)c([N+](=O)[O-])c(F)c1	95830368	343688152	/nfs/dbraw/zinc/68/81/52/343688152.db2.gz	KMTSWRQDQLLGLF-UHFFFAOYSA-N	0	2	171.127	1.748	20	5		ADBDLN
Cc1ccc(F)c([N+](=O)[O-])c1O	98177652	343706151	/nfs/dbraw/zinc/70/61/51/343706151.db2.gz	HZJIRMXUCZVKRV-UHFFFAOYSA-N	0	2	171.127	1.748	20	5		ADBDLN