smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000009600548	204318354	/nfs/dbraw/zinc/31/83/54/204318354.db2.gz	TYEICIMOQNXYKL-UHFFFAOYSA-N	-1	2	381.326	1.466	50	5		GDBALM
CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)[O-]	ZINC000009235240	204303546	/nfs/dbraw/zinc/30/35/46/204303546.db2.gz	FKCHQVAUMXHVAZ-HWKANZROSA-N	-1	2	377.309	1.004	50	5		GDBALM
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(O)=C23)cc1OC	ZINC000100861501	208382727	/nfs/dbraw/zinc/38/27/27/208382727.db2.gz	GMLKAZZYJGHRQO-WBVHZDCISA-N	-1	2	397.343	1.905	50	5		GDBALM
CCOc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1OCC(=O)[O-]	ZINC000009891995	221093625	/nfs/dbraw/zinc/09/36/25/221093625.db2.gz	IOGQWZMVAQEGJX-VOTSOKGWSA-N	-1	2	377.309	1.004	50	5		GDBALM