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(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C([O-])=C1NC(=S)[N-]C1=O	ZINC000102969231	530365622	/nfs/dbraw/zinc/36/56/22/530365622.db2.gz	PUUCYBHJCJWIQX-SSDOTTSWSA-N	-2	3	376.272	0.494	40	5		GCBBHL
Nc1nc([O-])c(C(c2ccc([N+](=O)[O-])cc2)C2C(=O)N=C(N)N=C2[O-])c(=O)[n-]1	ZINC000408927387	534841721	/nfs/dbraw/zinc/84/17/21/534841721.db2.gz	WIRKVGOJTRPNFX-UHFFFAOYSA-N	-3	3	387.312	0.003	40	5		GCBBHL
Cc1nc([O-])c(C(c2ccc([N+](=O)[O-])cc2)C2C(=O)N=C(C)NC2=O)c(=O)[n-]1	ZINC000016363267	570331922	/nfs/dbraw/zinc/33/19/22/570331922.db2.gz	KHJAQXAKIINCJD-UHFFFAOYSA-N	-2	3	385.336	0.970	40	5		GCBBHL
Cc1nc([O-])c(C(c2ccccc2[N+](=O)[O-])C2C(=O)N=C(C)NC2=O)c(=O)[n-]1	ZINC000016363281	210188041	/nfs/dbraw/zinc/18/80/41/210188041.db2.gz	HIBSLUOWIXXPEL-UHFFFAOYSA-N	-2	3	385.336	0.970	40	5		GCBBHL
Cc1nc([O-])c(C(c2cccc([N+](=O)[O-])c2)C2C(=O)N=C(C)NC2=O)c(=O)[n-]1	ZINC000013577244	570850915	/nfs/dbraw/zinc/85/09/15/570850915.db2.gz	AYWNIPKTASAERI-UHFFFAOYSA-N	-2	3	385.336	0.970	40	5		GCBBHL
Nc1nc([O-])c(C(c2cccc([N+](=O)[O-])c2)C2C(=O)N=C(N)N=C2[O-])c(=O)[n-]1	ZINC000408920051	534840548	/nfs/dbraw/zinc/84/05/48/534840548.db2.gz	GOQGOGLGJVOEFK-UHFFFAOYSA-N	-3	3	387.312	0.003	40	5		GCBBHL
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C([O-])=C1NC(=S)[N-]C1=O	ZINC000102969234	530365652	/nfs/dbraw/zinc/36/56/52/530365652.db2.gz	PUUCYBHJCJWIQX-ZETCQYMHSA-N	-2	3	376.272	0.494	40	5		GCBBHL