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([O-])c1cc(/N=C\c2cccc([N+](=O)[O-])c2O)ccc1O	ZINC000409064119	534541746	/nfs/dbraw/zinc/54/17/46/534541746.db2.gz	GJFDALCIARQTBF-CHHVJCJISA-N	-1	2	302.242	2.455	40	30		DEEBLM
O=C([O-])c1cc(/N=C\c2cc([N+](=O)[O-])ccc2O)ccc1O	ZINC000103619750	402193003	/nfs/dbraw/zinc/19/30/03/402193003.db2.gz	KXJYBXUIIIFORF-CHHVJCJISA-N	-1	2	302.242	2.455	40	30		DEEBLM
O=S(=O)(c1ccccc1/C=N/O)c1ccccc1/C=N\[O-]	ZINC000004718842	181141534	/nfs/dbraw/zinc/14/15/34/181141534.db2.gz	DKTMIJHVQKUHIF-CKOAPEAFSA-N	-1	2	304.327	2.136	40	30		DEEBLM
O=S(=O)(c1ccccc1/C=N/[O-])c1ccccc1/C=N\O	ZINC000004718842	181141535	/nfs/dbraw/zinc/14/15/35/181141535.db2.gz	DKTMIJHVQKUHIF-CKOAPEAFSA-N	-1	2	304.327	2.136	40	30		DEEBLM
O=C([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1O	ZINC000000027846	401687409	/nfs/dbraw/zinc/68/74/09/401687409.db2.gz	AZNNBSQVEIRBQR-VIZOYTHASA-N	-1	2	302.242	2.455	40	30		DEEBLM
O=C([O-])c1cc(/N=C\c2ccc(O)c([N+](=O)[O-])c2)ccc1O	ZINC000408961731	534540984	/nfs/dbraw/zinc/54/09/84/534540984.db2.gz	DQOSTIBPVZENJA-CHHVJCJISA-N	-1	2	302.242	2.455	40	30		DEEBLM