smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c([O-])cc([O-])c2sccc12	306900361	573294093	/nfs/dbraw/zinc/29/40/93/573294093.db2.gz	LQUJYKUNVSNWKB-UHFFFAOYSA-N	-2	3	191.211	2.184	10	30		AEEEHL
CC(C)=CC(=O)c1c([O-])cccc1[O-]	238137516	573820699	/nfs/dbraw/zinc/82/06/99/573820699.db2.gz	LOLQHAGRBCPXPA-UHFFFAOYSA-N	-2	3	192.214	2.247	10	30		AEEEHL
N#Cc1c([O-])ccc2ccc([O-])cc12	220525274	573923558	/nfs/dbraw/zinc/92/35/58/573923558.db2.gz	QSTAAOJTSFSNPC-UHFFFAOYSA-N	-2	3	185.182	2.123	10	30		AEEEHL
CC(C)=CC(=O)c1ccc([O-])cc1[O-]	38234919	571836552	/nfs/dbraw/zinc/83/65/52/571836552.db2.gz	MHZKMHVNZFQWFS-UHFFFAOYSA-N	-2	3	192.214	2.247	10	30		AEEEHL
O=C(C=C[O-])c1cc(Cl)ccc1[O-]	138942217	571861235	/nfs/dbraw/zinc/86/12/35/571861235.db2.gz	OHWNMFWZIPBYAV-ONEGZZNKSA-N	-2	3	198.605	2.300	10	30		AEEEHL
N#Cc1c([O-])cc([O-])c2ccsc12	306535213	573034006	/nfs/dbraw/zinc/03/40/06/573034006.db2.gz	FPHIJXZDOQUJRQ-UHFFFAOYSA-N	-2	3	191.211	2.184	10	30		AEEEHL
N#Cc1cc([O-])c2sccc2c1[O-]	306535782	573041050	/nfs/dbraw/zinc/04/10/50/573041050.db2.gz	GNJNNCSXYUGJLK-UHFFFAOYSA-N	-2	3	191.211	2.184	10	30		AEEEHL
N#Cc1csc2c([O-])cc([O-])cc12	306951320	574036161	/nfs/dbraw/zinc/03/61/61/574036161.db2.gz	CGIHWBFHIKZUHS-UHFFFAOYSA-N	-2	3	191.211	2.184	10	30		AEEEHL
C=C[C@@H](C)c1c([O-])ccc(C=O)c1[O-]	75580544	166213287	/nfs/dbraw/zinc/21/32/87/166213287.db2.gz	IJJSUXNDLBLJCY-SSDOTTSWSA-N	-2	3	192.214	2.200	10	30		AEEEHL
C=C[C@H](C)c1c([O-])ccc(C=O)c1[O-]	75580542	166220114	/nfs/dbraw/zinc/22/01/14/166220114.db2.gz	IJJSUXNDLBLJCY-ZETCQYMHSA-N	-2	3	192.214	2.200	10	30		AEEEHL
O=C(/C=C/Cl)c1c([O-])cccc1[O-]	575461933	352249397	/nfs/dbraw/zinc/24/93/97/352249397.db2.gz	FHAXWZXUPFOGEF-SNAWJCMRSA-N	-2	3	198.605	2.033	10	30		AEEEHL
O=C(/C=C/Cl)c1ccc([O-])cc1[O-]	575500378	352406850	/nfs/dbraw/zinc/40/68/50/352406850.db2.gz	DGROEELCAWHHRP-ONEGZZNKSA-N	-2	3	198.605	2.033	10	30		AEEEHL
C/C=C/C(=O)c1c([O-])cc(C)cc1[O-]	584609520	371836541	/nfs/dbraw/zinc/83/65/41/371836541.db2.gz	RDYJRDZUSIXSIS-ONEGZZNKSA-N	-2	3	192.214	2.165	10	30		AEEEHL
O=C(C=C[O-])c1ccc(Cl)cc1[O-]	223921986	573203178	/nfs/dbraw/zinc/20/31/78/573203178.db2.gz	NYJAFUTUAFQSHD-ARJAWSKDSA-N	-2	3	198.605	2.300	10	30		AEEEHL
N#Cc1c([O-])sc2cccc([O-])c12	306649507	573537380	/nfs/dbraw/zinc/53/73/80/573537380.db2.gz	QLNLDOFNZQLYGB-UHFFFAOYSA-N	-2	3	191.211	2.184	10	30		AEEEHL
N#Cc1ccc([O-])c2sc([O-])cc12	307126815	573886506	/nfs/dbraw/zinc/88/65/06/573886506.db2.gz	MLIHZAKGHBOHJH-UHFFFAOYSA-N	-2	3	191.211	2.184	10	30		AEEEHL