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)OCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1-c1ccc([O-])c([N+](=O)[O-])c1	ZINC000514296527	1059214009	/nfs/dbraw/zinc/21/40/09/1059214009.db2.gz	IOESDCXWEOGEMI-UHFFFAOYSA-N	-1	0	504.565	3.153	20	5		KGBDRM
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	ZINC000514298069	1059221982	/nfs/dbraw/zinc/22/19/82/1059221982.db2.gz	UFDPFSZALGPPEO-UHFFFAOYSA-N	-1	0	501.583	3.222	20	5		KGBDRM
O=C([O-])c1ccc(CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1	ZINC000514301326	1059277512	/nfs/dbraw/zinc/27/75/12/1059277512.db2.gz	ZXOOEVIBSSHSAE-UHFFFAOYSA-N	-1	0	530.603	3.000	20	5		KGBDRM