smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1cc([N+](=O)[O-])ccc1[O-]	14986159	343040963	/nfs/dbraw/zinc/04/09/63/343040963.db2.gz	YVSKFUMSIJTGTO-UHFFFAOYSA-N	-1	1	181.191	2.424	50	5	in-vitro	AEBAMM
O=[N+]([O-])c1cc([O-])cc2ccccc12	39642039	171079633	/nfs/dbraw/zinc/07/96/33/171079633.db2.gz	FXDHOYREAWONLZ-UHFFFAOYSA-N	-1	1	189.170	2.454	50	5		AEBAMM
O=[N+]([O-])c1cc([O-])cc2ccoc12	78496473	171120540	/nfs/dbraw/zinc/12/05/40/171120540.db2.gz	ZRKWYFMNUJHRMS-UHFFFAOYSA-N	-1	1	179.131	2.047	50	5		AEBAMM
Cc1c([O-])cc(Cl)cc1[N+](=O)[O-]	238537867	344811457	/nfs/dbraw/zinc/81/14/57/344811457.db2.gz	JATQYZXNZJKFMI-UHFFFAOYSA-N	-1	1	187.582	2.262	50	5		AEBAMM
Cc1cc([O-])c(C)c(C)c1[N+](=O)[O-]	39603501	343213237	/nfs/dbraw/zinc/21/32/37/343213237.db2.gz	QOCJGBIUCNTAJZ-UHFFFAOYSA-N	-1	1	181.191	2.226	50	5		AEBAMM
O=[N+]([O-])c1cc([O-])ccc1C(F)F	238713698	344821191	/nfs/dbraw/zinc/82/11/91/344821191.db2.gz	CSVLRDGREHVAHL-UHFFFAOYSA-N	-1	1	189.117	2.238	50	5		AEBAMM
O=[N+]([O-])c1cccc2[n-]c(Cl)nc12	34361581	351439008	/nfs/dbraw/zinc/43/90/08/351439008.db2.gz	IDHWSFVCVDTHNI-UHFFFAOYSA-N	-1	1	197.581	2.125	50	5		AEBAMM
O=[N+]([O-])c1cccc2nc(Cl)[n-]c12	34361581	351439010	/nfs/dbraw/zinc/43/90/10/351439010.db2.gz	IDHWSFVCVDTHNI-UHFFFAOYSA-N	-1	1	197.581	2.125	50	5		AEBAMM