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-])[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1	ZINC000532004985	939260872	/nfs/dbraw/zinc/26/08/72/939260872.db2.gz	ZYSWTTQZNLPNFC-MRXNPFEDSA-N	-2	0	419.415	1.989	20	5		HDBDRL
C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[O-])C(C)(C)O	ZINC000611282062	1075891523	/nfs/dbraw/zinc/89/15/23/1075891523.db2.gz	HWXVAPHBFZQTTA-NSHDSACASA-N	-2	0	423.447	1.990	20	5		HDBDRL
Cn1ncc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000611371796	1075916082	/nfs/dbraw/zinc/91/60/82/1075916082.db2.gz	XHTIIUIDZFUNNW-UHFFFAOYSA-N	-2	0	405.186	1.590	20	5		HDBDRL
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)NCCC(=O)[O-])c1	ZINC000509202258	1074082184	/nfs/dbraw/zinc/08/21/84/1074082184.db2.gz	HWDNBLHLMIQOEH-UHFFFAOYSA-N	-2	0	423.403	1.609	20	5		HDBDRL
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000509184999	1073978709	/nfs/dbraw/zinc/97/87/09/1073978709.db2.gz	NABCUFBWXXKNRB-UHFFFAOYSA-N	-2	0	423.403	1.609	20	5		HDBDRL
O=C([O-])C1(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000539569686	939282182	/nfs/dbraw/zinc/28/21/82/939282182.db2.gz	RCHRAQHFOAUPTR-UHFFFAOYSA-N	-2	0	405.388	1.743	20	5		HDBDRL
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccn(-c3ncccc3F)n2)c1	ZINC000611150254	1075861996	/nfs/dbraw/zinc/86/19/96/1075861996.db2.gz	JJQAWDNLZIIWAP-UHFFFAOYSA-N	-2	0	407.339	1.814	20	5		HDBDRL
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(OC(F)F)n(C)n1	ZINC000488353969	1075847286	/nfs/dbraw/zinc/84/72/86/1075847286.db2.gz	VNGOBPNUBFZLAG-UHFFFAOYSA-N	-2	0	406.323	1.737	20	5		HDBDRL
C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[O-])C(C)(C)O	ZINC000611282061	1075891455	/nfs/dbraw/zinc/89/14/55/1075891455.db2.gz	HWXVAPHBFZQTTA-LLVKDONJSA-N	-2	0	423.447	1.990	20	5		HDBDRL
O=C([O-])[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1	ZINC000532004984	939260990	/nfs/dbraw/zinc/26/09/90/939260990.db2.gz	ZYSWTTQZNLPNFC-INIZCTEOSA-N	-2	0	419.415	1.989	20	5		HDBDRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ncccc3F)n2)ccc1[N+](=O)[O-]	ZINC000611150863	1075862654	/nfs/dbraw/zinc/86/26/54/1075862654.db2.gz	KNJQAPFADQRNNK-UHFFFAOYSA-N	-2	0	407.339	1.814	20	5		HDBDRL