smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)c(Cl)c1	ZINC000004294449	554476930	/nfs/dbraw/zinc/47/69/30/554476930.db2.gz	SGDNJQVPUTXLPT-QFIPXVFZSA-N	-1	0	456.325	6.048	30	0		JKACRM
O=c1[n-]c(-c2ccc(Cl)c(Cl)c2)nn1-c1c(Cl)cc(-c2ccccc2)cc1Cl	ZINC000015444303	555909460	/nfs/dbraw/zinc/90/94/60/555909460.db2.gz	MSZYPFBIDACSTL-UHFFFAOYSA-N	-1	0	451.140	6.508	30	0		JKACRM
CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1	ZINC000006467610	554542943	/nfs/dbraw/zinc/54/29/43/554542943.db2.gz	XTEOJPUYZWEXFI-UHFFFAOYSA-N	-1	0	475.636	5.073	30	0	in-vitro	JKACRM
O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)c(Cl)c1	ZINC000002386992	554178259	/nfs/dbraw/zinc/17/82/59/554178259.db2.gz	SGDNJQVPUTXLPT-JOCHJYFZSA-N	-1	0	456.325	6.048	30	0		JKACRM