smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn([C@@H]2C[C@H](O)[C@H](CNC(=O)c3cccc(S(=O)(=O)F)c3)O2)c(=O)[nH]c1=O	ZINC000042764902	563115680	/nfs/dbraw/zinc/11/56/80/563115680.db2.gz	SHBQFTPCMASDHU-IHRRRGAJSA-N	0	0	427.410	-0.418	1	70		IBIFRN
Cc1cn([C@@H]2C[C@@H](O)[C@H](CNC(=O)c3cccc(S(=O)(=O)F)c3)O2)c(=O)[nH]c1=O	ZINC000042764912	563115672	/nfs/dbraw/zinc/11/56/72/563115672.db2.gz	SHBQFTPCMASDHU-RDBSUJKOSA-N	0	0	427.410	-0.418	1	70		IBIFRN
Cc1cn([C@@H]2C[C@H](O)[C@H](CNC(=O)c3ccc(S(=O)(=O)F)cc3)O2)c(=O)[nH]c1=O	ZINC000042764944	563115674	/nfs/dbraw/zinc/11/56/74/563115674.db2.gz	MVIBENONYJYITO-IHRRRGAJSA-N	0	0	427.410	-0.418	1	70		IBIFRN
Cc1cn([C@@H]2C[C@@H](O)[C@H](CNC(=O)c3ccc(S(=O)(=O)F)cc3)O2)c(=O)[nH]c1=O	ZINC000042764953	563115670	/nfs/dbraw/zinc/11/56/70/563115670.db2.gz	MVIBENONYJYITO-RDBSUJKOSA-N	0	0	427.410	-0.418	1	70		IBIFRN
CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@H](OS(=O)(=O)F)[C@H]2S(=O)(=O)C1(C)C	ZINC000043799359	563121245	/nfs/dbraw/zinc/12/12/45/563121245.db2.gz	OEYCCDDQNDSCPV-OYNCUSHFSA-N	0	0	445.443	-0.580	1	70		IBIFRN