smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(NNC(=S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1	ZINC000027748080	561883066	/nfs/dbraw/zinc/88/30/66/561883066.db2.gz	GXTXUZPKCHAUBA-UHFFFAOYSA-N	-2	1	554.610	3.609	1	5		KHBFML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(NNC(=S)NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)c1	ZINC000027748985	561883016	/nfs/dbraw/zinc/88/30/16/561883016.db2.gz	FBQRMRQPHCFTHU-UHFFFAOYSA-N	-2	1	554.610	3.609	1	5		KHBFML
O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)NCC=Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000095589305	562774927	/nfs/dbraw/zinc/77/49/27/562774927.db2.gz	OYDUNSQXMNVYBT-ZHYHHUQWSA-N	-3	1	793.552	3.578	1	5		KHBFML
O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)NCC=Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000095589305	562774926	/nfs/dbraw/zinc/77/49/26/562774926.db2.gz	OYDUNSQXMNVYBT-ZHYHHUQWSA-N	-3	1	793.552	3.578	1	5		KHBFML