smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCC1=C([O-])[C@@](O)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1[O-]	ZINC000100017288	560053876	/nfs/dbraw/zinc/05/38/76/560053876.db2.gz	VMSLCPKYRPDHLN-NRFANRHFSA-N	-2	3	362.466	4.252	10	30	biogenic,in-vitro	FIEEHL
C=CC(C)(C)c1c([O-])cc([O-])c2c1oc(-c1ccc(OC)cc1)c(O)c2=O	ZINC000005950746	560203976	/nfs/dbraw/zinc/20/39/76/560203976.db2.gz	ZETKATWNOCCPNF-UHFFFAOYSA-N	-2	3	368.385	4.049	10	30	in-vitro	FIEEHL
Cc1cc(C)c(CSc2nnc([N-][NH+]=Cc3ccccc3[O-])[n-]2)c(C)c1	ZINC000006255215	524275092	/nfs/dbraw/zinc/27/50/92/524275092.db2.gz	ZGDLRGIEVOWAIP-KEBDBYFISA-N	-2	3	367.478	4.174	10	30		FIEEHL
O=S(=O)([N-]c1ccc(F)cc1)c1ccc(/N=C/c2ccc(O)cc2)cc1	ZINC000100046140	222232927	/nfs/dbraw/zinc/23/29/27/222232927.db2.gz	KRENHWYPKYNNCH-FYJGNVAPSA-N	-2	3	370.405	4.083	10	30		FIEEHL
O=S(=O)([N-]c1ccc(F)cc1)c1ccc(/N=C/c2ccc([O-])cc2)cc1	ZINC000100046140	222232933	/nfs/dbraw/zinc/23/29/33/222232933.db2.gz	KRENHWYPKYNNCH-FYJGNVAPSA-N	-2	3	370.405	4.083	10	30		FIEEHL