smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)N[C@@H](C)c1cc(Cl)c2ccccc2c1[O-]	ZINC000036388618	172628651	/nfs/dbraw/zinc/62/86/51/172628651.db2.gz	FPDNLJBOMAJEBZ-VIFPVBQESA-N	-1	3	277.751	3.786	3	10		CHCFHM
[O-]c1cccc2ccc(/C=C/c3cccc(O)c3O)nc12	ZINC000045338680	175361012	/nfs/dbraw/zinc/36/10/12/175361012.db2.gz	TZPLPBIPHVADGQ-CSKARUKUSA-N	-1	3	279.295	3.522	1	10		CHCFHM
O=C1Nc2c3c1cc(O)c([O-])c3c1ccccc1c2Cl	ZINC000045371558	175364162	/nfs/dbraw/zinc/36/41/62/175364162.db2.gz	DVFDPTMMVVWTRF-UHFFFAOYSA-N	-1	3	285.686	3.623	1	10		CHCFHM
O=c1cc(-c2ccc([O-])c(O)c2)oc2c3ccoc3ccc12	ZINC000045284451	175353619	/nfs/dbraw/zinc/35/36/19/175353619.db2.gz	HQXNJTYEMIKUKO-UHFFFAOYSA-N	-1	3	294.262	3.617	1	10		CHCFHM
CC(C)=CCC/C(C)=C/COC(=O)c1ccc([O-])c(O)c1	ZINC000027310265	560091749	/nfs/dbraw/zinc/09/17/49/560091749.db2.gz	OVDDPLULMGGUFM-UKTHLTGXSA-N	-1	3	290.359	3.947	1	10	biogenic,in-vitro	CHCFHM
Cc1ccc2oc(=O)c3c4cc(O)c([O-])c(C)c4oc3c2c1	ZINC000008679954	170345124	/nfs/dbraw/zinc/34/51/24/170345124.db2.gz	HDOCIUMHIVNIHO-UHFFFAOYSA-N	-1	3	296.278	3.720	1	10		CHCFHM