smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=S)Sc2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000016217141	569029897	/nfs/dbraw/zinc/02/98/97/569029897.db2.gz	TXHTUIKIJPWUBD-UHFFFAOYSA-N	-1	2	409.401	3.699	40	5		HHBBLM
O=C([O-])C(=Cc1cc([N+](=O)[O-])ccc1O)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408633739	559222605	/nfs/dbraw/zinc/22/26/05/559222605.db2.gz	LWKVYDXBLNHCNS-ZSOIEALJSA-N	-1	2	418.818	3.957	40	5		HHBBLM
Cc1ccc(-c2ccc(C(=O)[O-])o2)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000226353829	559273614	/nfs/dbraw/zinc/27/36/14/559273614.db2.gz	NROKAVXYTDGWNN-UHFFFAOYSA-N	-1	2	402.384	3.662	40	5		HHBBLM