smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Oc1cc([O-])cc2c1C(=O)c1c([O-])cc(C)cc1C2=O	ZINC000040873418	183145457	/nfs/dbraw/zinc/14/54/57/183145457.db2.gz	AXXGOVVXDCDKQJ-UHFFFAOYSA-N	-2	3	312.277	2.107	1	10		DECFHL
COc1cc(=O)c2c([O-])c3cc(OC)c([O-])c(O)c3oc-2c1	ZINC000014649032	560223861	/nfs/dbraw/zinc/22/38/61/560223861.db2.gz	UBCXIVCXMABZNZ-UHFFFAOYSA-N	-2	3	304.254	2.080	1	10	biogenic,in-vitro	DECFHL
COc1cc(O)c(O)cc1-c1coc2cc([O-])cc([O-])c2c1=O	ZINC000095099481	560062322	/nfs/dbraw/zinc/06/23/22/560062322.db2.gz	DIABWADIZQBKGQ-UHFFFAOYSA-N	-2	3	316.265	2.291	1	10	biogenic,in-vitro	DECFHL
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(F)cc3[O-])o2)C(=O)N1	ZINC000015924675	182025222	/nfs/dbraw/zinc/02/52/22/182025222.db2.gz	DHYWKROGVBRSQF-UHFFFAOYSA-N	-2	3	316.244	2.381	3	10		DECFHL
Cc1cc2c(c3c(n2C#N)C(=O)c2c([O-])cccc2C3=O)c([O-])c1	ZINC000005160215	560201083	/nfs/dbraw/zinc/20/10/83/560201083.db2.gz	ICZJRSZSGQYRIC-UHFFFAOYSA-N	-2	3	318.288	2.466	1	10	in-vitro	DECFHL
O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cc([O-])c(O)c([O-])c12	ZINC000073197582	191291192	/nfs/dbraw/zinc/29/11/92/191291192.db2.gz	OOQHFLXCURRCNW-UHFFFAOYSA-N	-2	3	315.237	2.485	1	10		DECFHL
COc1c([O-])cc2c(c1OC)C(=O)c1c([O-])c(C)ccc1C2=O	ZINC000006071441	290902746	/nfs/dbraw/zinc/90/27/46/290902746.db2.gz	ISZGKWAWCDXIJR-UHFFFAOYSA-N	-2	3	314.293	2.199	1	10	biogenic,in-vitro	DECFHL
O=C1c2cccc([O-])c2C(=O)c2c([O-])cc(CN3CCCC3)cc21	ZINC000006093798	181311991	/nfs/dbraw/zinc/31/19/91/181311991.db2.gz	FVAHTIRWHXVIPZ-UHFFFAOYSA-N	-2	3	323.348	2.469	1	10		DECFHL
COc1ccc(-c2coc3cc([O-])c(O)c([O-])c3c2=O)cc1O	ZINC000039004853	560081972	/nfs/dbraw/zinc/08/19/72/560081972.db2.gz	UTMSPYXAMXSXRW-UHFFFAOYSA-N	-2	3	316.265	2.291	1	10	biogenic,in-vitro	DECFHL
O=c1cc(Oc2ccc(O)cc2)oc2cc([O-])c(O)c([O-])c12	ZINC000014811469	560226404	/nfs/dbraw/zinc/22/64/04/560226404.db2.gz	ABOYWHFIYLNFAE-UHFFFAOYSA-N	-2	3	302.238	2.408	1	10	biogenic,in-vitro	DECFHL