smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2ccccc2)oc2c(O)c([O-])cc([O-])c12	ZINC000005934539	170158042	/nfs/dbraw/zinc/15/80/42/170158042.db2.gz	ZFKKRRMUPBBYRS-UHFFFAOYSA-N	-2	3	270.240	2.577	40	10	biogenic,in-vitro	CFCBHL
CN(CC(=O)[O-])Cc1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000001677218	371697002	/nfs/dbraw/zinc/69/70/02/371697002.db2.gz	AFNKCFYOQROHMA-UHFFFAOYSA-N	-2	3	298.553	2.869	40	10	in-vitro	CFCBHL
CCCCCC(=O)C(=O)c1ccc([O-])c(C)c1[O-]	ZINC000001563297	371680671	/nfs/dbraw/zinc/68/06/71/371680671.db2.gz	MRSTWPOMUCOFSL-UHFFFAOYSA-N	-2	3	250.294	2.738	40	10		CFCBHL
CCCCCCC(=O)C(=O)c1ccc([O-])cc1[O-]	ZINC000001563303	371681236	/nfs/dbraw/zinc/68/12/36/371681236.db2.gz	RYFGUWCCZZKORS-UHFFFAOYSA-N	-2	3	250.294	2.820	40	10		CFCBHL
O=C1[N-]C(=S)S/C1=C/c1ccc([O-])c(Cl)c1	ZINC000209250739	296359661	/nfs/dbraw/zinc/35/96/61/296359661.db2.gz	HBQASEGZXOTHNB-XBXARRHUSA-N	-2	3	271.750	2.534	40	10		CFCBHL