smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2NC(=O)C(=C3C(=O)NC(=O)NC3=O)C2=O)cc1C	ZINC000004502149	301631514	/nfs/dbraw/zinc/63/15/14/301631514.db2.gz	UOXPWPCBHPHLCA-UHFFFAOYSA-N	0	2	328.284	-0.656	50	10		EBCALN
CCOc1ccc(N2C(=O)NC(=O)C(=CNNCCO)C2=O)cc1	ZINC000006554309	381866746	/nfs/dbraw/zinc/86/67/46/381866746.db2.gz	ALXMMDUNWRRXAP-FMIVXFBMSA-N	0	2	334.332	-0.362	50	10		EBCALN
COc1cccc(N2C(=O)NC(=O)C(=CNN3CCOCC3)C2=O)c1	ZINC000019948984	376005890	/nfs/dbraw/zinc/00/58/90/376005890.db2.gz	PIOLBGRKGVJAKY-RAXLEYEMSA-N	0	2	346.343	-0.001	50	10		EBCALN
COc1ccccc1N1C(=O)NC(=O)C(=CNN2CCOCC2)C1=O	ZINC000004856564	210301639	/nfs/dbraw/zinc/30/16/39/210301639.db2.gz	XMEGWORBDLAYEH-KHPPLWFESA-N	0	2	346.343	-0.001	50	10		EBCALN
CCS(=O)(=O)c1ccc(O)c(NC=C2C(=O)NC(=O)NC2=O)c1	ZINC000085594155	377397346	/nfs/dbraw/zinc/39/73/46/377397346.db2.gz	VZQGJARRMRAPGT-UHFFFAOYSA-N	0	2	339.329	-0.152	50	10		EBCALN