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(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307459	563169456	/nfs/dbraw/zinc/16/94/56/563169456.db2.gz	NKCFSRHDUPWUSZ-UHFFFAOYSA-N	2	2	480.953	2.755	40	70		JFIBLP
O=c1cc(C[NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(C[N@@H+]2CCc3ccccc3C2)c1O	ZINC000217665744	569880907	/nfs/dbraw/zinc/88/09/07/569880907.db2.gz	FVAHCJAUZBVLNI-GHTZIAJQSA-N	2	2	459.546	2.685	40	70		JFIBLP
O=c1cc(C[NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(C[N@H+]2CCc3ccccc3C2)c1O	ZINC000217665744	569880908	/nfs/dbraw/zinc/88/09/08/569880908.db2.gz	FVAHCJAUZBVLNI-GHTZIAJQSA-N	2	2	459.546	2.685	40	70		JFIBLP
O=c1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(C[NH+]2CCc3ccccc3C2)c1O	ZINC000217665744	569880909	/nfs/dbraw/zinc/88/09/09/569880909.db2.gz	FVAHCJAUZBVLNI-GHTZIAJQSA-N	2	2	459.546	2.685	40	70		JFIBLP
O=c1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(C[NH+]2CCc3ccccc3C2)c1O	ZINC000217665744	569880910	/nfs/dbraw/zinc/88/09/10/569880910.db2.gz	FVAHCJAUZBVLNI-GHTZIAJQSA-N	2	2	459.546	2.685	40	70		JFIBLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000044201890	563171958	/nfs/dbraw/zinc/17/19/58/563171958.db2.gz	MHFIVUKREFWNBG-UHFFFAOYSA-N	2	2	469.926	2.642	40	70		JFIBLP