smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)(C(=O)[O-])c1ccccc1	ZINC000485371056	939227785	/nfs/dbraw/zinc/22/77/85/939227785.db2.gz	HIXGGHLIIVHQKP-NRFANRHFSA-N	-2	0	444.534	3.669	20	0		IHADRL
O=C([O-])C1(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)CCC1	ZINC000537366298	939265828	/nfs/dbraw/zinc/26/58/28/939265828.db2.gz	NSBKSYOGSBAKAW-UHFFFAOYSA-N	-2	0	443.308	3.531	20	0		IHADRL
CC[C@@](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)(C(=O)[O-])c1ccccc1	ZINC000485363587	939226167	/nfs/dbraw/zinc/22/61/67/939226167.db2.gz	PRPPUJBZZGMINV-NRFANRHFSA-N	-2	0	444.534	3.669	20	0		IHADRL
CC[C@](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)(C(=O)[O-])c1ccccc1	ZINC000485363588	939226213	/nfs/dbraw/zinc/22/62/13/939226213.db2.gz	PRPPUJBZZGMINV-OAQYLSRUSA-N	-2	0	444.534	3.669	20	0		IHADRL
CC[C@](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)(C(=O)[O-])c1ccccc1	ZINC000485371058	939227751	/nfs/dbraw/zinc/22/77/51/939227751.db2.gz	HIXGGHLIIVHQKP-OAQYLSRUSA-N	-2	0	444.534	3.669	20	0		IHADRL
CCC1CCC(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)(C(=O)[O-])CC1	ZINC000538503981	939276229	/nfs/dbraw/zinc/27/62/29/939276229.db2.gz	VQNVEWPJFSSAIV-UHFFFAOYSA-N	-2	0	436.555	3.702	20	0		IHADRL
O=C([O-])C1(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CCC1	ZINC000537366219	939265637	/nfs/dbraw/zinc/26/56/37/939265637.db2.gz	LQNDPCNHRGQRKF-UHFFFAOYSA-N	-2	0	443.308	3.531	20	0		IHADRL