smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2ncn(Cc3cccc(NC(=O)c4ccc(S(=O)(=O)F)cc4)c3)c2c(=O)[nH]1	ZINC000043871933	563121437	/nfs/dbraw/zinc/12/14/37/563121437.db2.gz	ANNAZKAVCPRJPJ-UHFFFAOYSA-N	0	0	442.432	1.661	1	70		IDIFRN
Nc1nc2ncn(Cc3cccc(NC(=O)c4cccc(S(=O)(=O)F)c4)c3)c2c(=O)[nH]1	ZINC000043356689	563120108	/nfs/dbraw/zinc/12/01/08/563120108.db2.gz	JFMMOXZUHXDFEQ-UHFFFAOYSA-N	0	0	442.432	1.661	1	70		IDIFRN
Nc1nc2ncn(Cc3ccc(NC(=O)c4ccc(S(=O)(=O)F)cc4)cc3)c2c(=O)[nH]1	ZINC000043361934	563120187	/nfs/dbraw/zinc/12/01/87/563120187.db2.gz	NXJZXCIHJUJWEF-UHFFFAOYSA-N	0	0	442.432	1.661	1	70		IDIFRN
O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	ZINC000043640848	563121037	/nfs/dbraw/zinc/12/10/37/563121037.db2.gz	NVCNCXYAOBRSCC-UHFFFAOYSA-N	0	0	436.329	1.581	1	70		IDIFRN
CC(C)C[C@@H](CS(=O)(=O)F)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1	ZINC000095576474	563186074	/nfs/dbraw/zinc/18/60/74/563186074.db2.gz	QFZMNRFPELMKNA-IRXDYDNUSA-N	0	0	436.509	1.648	1	70		IDIFRN
Nc1nc2ncn(Cc3ccc(NC(=O)c4cccc(S(=O)(=O)F)c4)cc3)c2c(=O)[nH]1	ZINC000043361930	563120194	/nfs/dbraw/zinc/12/01/94/563120194.db2.gz	CGYMUMSUMSNDJV-UHFFFAOYSA-N	0	0	442.432	1.661	1	70		IDIFRN