smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)c1ccc(Sc2nc([O-])cc(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000016384437	415154289	/nfs/dbraw/zinc/15/42/89/415154289.db2.gz	PWTOOGBEOSMZPY-UHFFFAOYSA-N	-2	1	308.275	0.634	40	5		DCBBML
O=C([O-])Cc1cnc(COc2ccccc2[N+](=O)[O-])[n-]c1=O	ZINC000217387165	395838566	/nfs/dbraw/zinc/83/85/66/395838566.db2.gz	NYVRPHADTFCPII-UHFFFAOYSA-N	-2	1	305.246	0.884	40	5		DCBBML
CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c([N-]S(C)(=O)=O)c1	ZINC000016248546	295539746	/nfs/dbraw/zinc/53/97/46/295539746.db2.gz	DTGZAUDFEFFZTJ-UHFFFAOYSA-N	-2	1	309.325	0.338	40	5		DCBBML
O=C([O-])c1cnc2nc3ncc(C(=O)[O-])c(O)c3cc2c1O	ZINC000026459698	257129405	/nfs/dbraw/zinc/12/94/05/257129405.db2.gz	RGKGAKOVIXVEPQ-UHFFFAOYSA-N	-2	1	301.214	0.986	40	5		DCBBML