smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1ccc([O-])c(-c2c3c(ccc2O)OCO3)c1)c1cc(Cl)ccc1Cl	ZINC000040407062	563140289	/nfs/dbraw/zinc/14/02/89/563140289.db2.gz	LLHFIAUGEBTPHF-UHFFFAOYSA-N	-2	3	454.287	4.601	1	10		JJCFHL
Cc1c(C)c([N-]S(=O)(=O)c2ccc(F)cc2)c(C)c(C)c1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042888762	563163370	/nfs/dbraw/zinc/16/33/70/563163370.db2.gz	HVKXJHXFQZJUJJ-UHFFFAOYSA-N	-2	3	480.558	4.800	1	10		JJCFHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3c(O)ccc4ccccc43)c2)c(OC)c1	ZINC000040916198	563155660	/nfs/dbraw/zinc/15/56/60/563155660.db2.gz	GRYLCNUPJYKZOD-UHFFFAOYSA-N	-2	3	451.500	4.736	1	10		JJCFHL
O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1)c1cccc(Cl)c1	ZINC000040409873	563140537	/nfs/dbraw/zinc/14/05/37/563140537.db2.gz	IRLSHFFKRJSEAR-UHFFFAOYSA-N	-2	3	457.360	4.595	1	10		JJCFHL
Cc1c(C2=NN=C(/N=N/c3c([O-])cccc3[O-])/C2=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000005883080	562935673	/nfs/dbraw/zinc/93/56/73/562935673.db2.gz	ROXLNVPCACNANI-YEWMAQBASA-N	-2	3	478.512	4.879	1	10		JJCFHL