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(=[NH2+])NC(=[NH2+])N1c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000043300635	563119872	/nfs/dbraw/zinc/11/98/72/563119872.db2.gz	OMSHIIAGTDRPGZ-UHFFFAOYSA-N	2	1	448.480	1.548	40	70		IDIBMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000043307431	563119916	/nfs/dbraw/zinc/11/99/16/563119916.db2.gz	DPNCZVKDIHWRJS-UHFFFAOYSA-N	2	1	432.481	1.712	40	70		IDIBMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCOc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307425	563119894	/nfs/dbraw/zinc/11/98/94/563119894.db2.gz	OIQSPSCUMIHGDS-UHFFFAOYSA-N	2	1	435.481	1.988	40	70		IDIBMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300528	563119962	/nfs/dbraw/zinc/11/99/62/563119962.db2.gz	NJLWMYZHNVATEF-UHFFFAOYSA-N	2	1	432.481	1.712	40	70		IDIBMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307703	563120045	/nfs/dbraw/zinc/12/00/45/563120045.db2.gz	GSIUJSNPJKROIZ-UHFFFAOYSA-N	2	1	448.480	1.548	40	70		IDIBMP