smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1(CC(C)C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)CC1	ZINC000217613250	562877622	/nfs/dbraw/zinc/87/76/22/562877622.db2.gz	CZMGWNNTAKLVJV-UHFFFAOYSA-N	-1	0	523.655	4.867	1	70		KJIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cc(F)cc3cccnc32)cc1)N1CCC(O)(c2ccccc2Cl)CC1	ZINC000217628376	562877643	/nfs/dbraw/zinc/87/76/43/562877643.db2.gz	XYZNQEXENGDFOI-UHFFFAOYSA-N	-1	0	540.016	4.952	1	70		KJIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(CCC=C(F)F)CC1	ZINC000217629342	562877633	/nfs/dbraw/zinc/87/76/33/562877633.db2.gz	PIYQMEAMLJMVKO-UHFFFAOYSA-N	-1	0	507.584	4.625	1	70		KJIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(CCCC(F)(F)F)CC1	ZINC000217629794	562877629	/nfs/dbraw/zinc/87/76/29/562877629.db2.gz	ZWYXHJWBKPJIIF-UHFFFAOYSA-N	-1	0	527.590	4.797	1	70		KJIFRM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c3cccnc32)cc1)N1CCC(O)(Cc2ccccc2F)CC1	ZINC000217631250	562877666	/nfs/dbraw/zinc/87/76/66/562877666.db2.gz	LJNNNHHNUJSXBP-UHFFFAOYSA-N	-1	0	537.588	4.524	1	70		KJIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1)N1CCC(O)(Cc2ccccc2C(F)(F)F)CC1	ZINC000217661407	562877720	/nfs/dbraw/zinc/87/77/20/562877720.db2.gz	HUWDEOQKHDGFFT-UHFFFAOYSA-N	-1	0	570.593	4.659	1	70		KJIFRM
CC(F)(F)CCC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4scnc43)cc2F)CC1	ZINC000217780109	562877753	/nfs/dbraw/zinc/87/77/53/562877753.db2.gz	FDOSVZMFYDBOKV-UHFFFAOYSA-N	-1	0	527.590	4.639	1	70		KJIFRM