smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC(C)(C)c1c([O-])cc(O)c2c1oc1c([O-])cccc1c2=O	ZINC000015121050	518682255	/nfs/dbraw/zinc/68/22/55/518682255.db2.gz	PNPYKPQUXNWIPR-UHFFFAOYSA-N	-2	3	312.321	3.527	1	30		DHEFHL
COc1cc([O-])cc([O-])c1C(=O)/C=C/c1ccc(Cl)cc1	ZINC000045387303	183502921	/nfs/dbraw/zinc/50/29/21/183502921.db2.gz	ZXVVIVDMNYJIQC-QPJJXVBHSA-N	-2	3	304.729	3.656	1	30		DHEFHL
O=C1c2cc([O-])ccc2C(Br)=C1c1ccc([O-])cc1	ZINC000016051727	182031286	/nfs/dbraw/zinc/03/12/86/182031286.db2.gz	DHPCBFMFERFZLR-UHFFFAOYSA-N	-2	3	317.138	3.557	1	30	in-vivo	DHEFHL
O=C([O-])Cc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000005648615	181268240	/nfs/dbraw/zinc/26/82/40/181268240.db2.gz	XYJBNYLLKQYTLY-UDWIEESQSA-N	-2	3	305.333	3.923	1	30		DHEFHL