smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)cc1	ZINC000038488519	563134864	/nfs/dbraw/zinc/13/48/64/563134864.db2.gz	CRSCYOMRZYZFET-UHFFFAOYSA-N	-2	0	455.521	3.574	1	10		JHCFRL
O=S(=O)([O-])c1ccc(NC(=S)c2sc(=S)n(-c3cccc(C(F)(F)F)c3)c2[O-])o1	ZINC000040981161	563162535	/nfs/dbraw/zinc/16/25/35/563162535.db2.gz	DYZRZGUOXSRIOX-NSHDSACASA-N	-2	0	482.508	3.718	1	10		JHCFRL
COc1cc(OC(=O)c2c(C)c(O)c(O)cc2O)cc(C)c1C(=O)Oc1cc(C)c(C(=O)[O-])c(O)c1	ZINC000005812133	562935010	/nfs/dbraw/zinc/93/50/10/562935010.db2.gz	YFQVZURMMMPTAX-UHFFFAOYSA-N	-2	0	498.440	3.579	1	10		JHCFRL
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Sc4nc[nH]n4)c([O-])c4ccccc34)ccc21	ZINC000038488523	563134874	/nfs/dbraw/zinc/13/48/74/563134874.db2.gz	NAVKTDFSZKJQOB-UHFFFAOYSA-N	-2	0	481.559	3.525	1	10		JHCFRL
O=S(=O)([O-])c1ccc(NC(=S)c2sc(=S)n(-c3cccc(C(F)(F)F)c3)c2[O-])o1	ZINC000040981163	563162505	/nfs/dbraw/zinc/16/25/05/563162505.db2.gz	DYZRZGUOXSRIOX-LLVKDONJSA-N	-2	0	482.508	3.718	1	10		JHCFRL
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc3cc(C(=O)[O-])ccc3c2)c2c1C(=O)c1ccccc1C2=O	ZINC000045389315	563194927	/nfs/dbraw/zinc/19/49/27/563194927.db2.gz	VYHIUJIQSZNMKC-UHFFFAOYSA-N	-2	0	488.477	3.886	1	10		JHCFRL
O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1)c1c(F)cccc1F	ZINC000040937750	563158448	/nfs/dbraw/zinc/15/84/48/563158448.db2.gz	QHWZGZQAEVUMJR-UHFFFAOYSA-N	-2	0	460.430	3.845	1	10		JHCFRL