smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043300606	563119969	/nfs/dbraw/zinc/11/99/69/563119969.db2.gz	IQHXPLJJDASOCX-UHFFFAOYSA-N	1	3	446.508	2.102	40	70		IEIBHO
CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300477	563119901	/nfs/dbraw/zinc/11/99/01/563119901.db2.gz	XLBWQEGQTYJCBL-UHFFFAOYSA-N	1	3	446.508	2.102	40	70		IEIBHO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(CCC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000044201864	563121747	/nfs/dbraw/zinc/12/17/47/563121747.db2.gz	HZWVVBOMSDGROE-UHFFFAOYSA-N	1	3	446.508	2.102	40	70		IEIBHO