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)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1ccccc1	ZINC000426717244	939144973	/nfs/dbraw/zinc/14/49/73/939144973.db2.gz	NWQRBXUFQNUUNS-KRWDZBQOSA-N	-2	0	416.480	3.105	20	0		HGADRL
O=C([O-])C1(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CCCCC1	ZINC000485447316	939230097	/nfs/dbraw/zinc/23/00/97/939230097.db2.gz	QYKLUYISYXGLIK-UHFFFAOYSA-N	-2	0	408.501	3.066	20	0		HGADRL
COc1cc(NS(=O)(=O)c2cccc(Cl)c2[O-])c(C(=O)[O-])cc1OC(F)F	ZINC000550105975	450603237	/nfs/dbraw/zinc/60/32/37/450603237.db2.gz	DXNARVRZABACHJ-UHFFFAOYSA-N	-2	0	423.777	3.155	20	0		HGADRL
O=C([O-])[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1ccccc1	ZINC000428070334	939148777	/nfs/dbraw/zinc/14/87/77/939148777.db2.gz	NWQRBXUFQNUUNS-QGZVFWFLSA-N	-2	0	416.480	3.105	20	0		HGADRL
Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@](C)(C(=O)[O-])C3CC3)c2)c1	ZINC000539603636	939283418	/nfs/dbraw/zinc/28/34/18/939283418.db2.gz	IVRRJNIIKFYPSL-NRFANRHFSA-N	-2	0	416.499	3.087	20	0		HGADRL
Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)c2)c1	ZINC000539603637	939283441	/nfs/dbraw/zinc/28/34/41/939283441.db2.gz	IVRRJNIIKFYPSL-OAQYLSRUSA-N	-2	0	416.499	3.087	20	0		HGADRL
Cc1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000762025202	939070856	/nfs/dbraw/zinc/07/08/56/939070856.db2.gz	QQCKHWOHIVHFCU-UHFFFAOYSA-N	-2	0	422.425	3.164	20	0		HGADRL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000079001731	569423469	/nfs/dbraw/zinc/42/34/69/569423469.db2.gz	DXKMPGDSWSVVAZ-UHFFFAOYSA-N	-2	0	422.217	3.418	20	0		HGADRL
O=C([O-])C1(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)CCCCC1	ZINC000485445835	939230049	/nfs/dbraw/zinc/23/00/49/939230049.db2.gz	LRIQYTPXKAASHT-UHFFFAOYSA-N	-2	0	408.501	3.066	20	0		HGADRL
O=C([O-])C1(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CCCCCC1	ZINC000431986980	939170903	/nfs/dbraw/zinc/17/09/03/939170903.db2.gz	OHZJRSHSVBDGBY-UHFFFAOYSA-N	-2	0	422.528	3.456	20	0		HGADRL
O=C([O-])[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1	ZINC000426705484	939144251	/nfs/dbraw/zinc/14/42/51/939144251.db2.gz	WVANPZPVHCCGKY-KRWDZBQOSA-N	-2	0	416.480	3.105	20	0		HGADRL
O=C([O-])[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1	ZINC000428063077	939148783	/nfs/dbraw/zinc/14/87/83/939148783.db2.gz	WVANPZPVHCCGKY-QGZVFWFLSA-N	-2	0	416.480	3.105	20	0		HGADRL
O=C([O-])C1(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)CCCCCC1	ZINC000432006237	939171546	/nfs/dbraw/zinc/17/15/46/939171546.db2.gz	JGHZJMBRLAJSFO-UHFFFAOYSA-N	-2	0	422.528	3.456	20	0		HGADRL