smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CN(CP(=O)([O-])[O-])C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-]	ZINC000013910750	581093759	/nfs/dbraw/zinc/09/37/59/581093759.db2.gz	IQHFJQXJLKTGJO-KRWDZBQOSA-N	-3	3	408.391	2.638	1	0		HFAFHL
COc1c(OC)c(OC)c(-c2cc(=O)c3c([O-])cc([O-])cc3o2)c(OC)c1OC	ZINC000015271464	291222699	/nfs/dbraw/zinc/22/26/99/291222699.db2.gz	AWJLBZCAQJYFDM-UHFFFAOYSA-N	-2	3	404.371	2.914	1	0	biogenic,in-vitro	HFAFHL
COc1ccc(-c2oc3c(OC)c([O-])c(OC)c([O-])c3c(=O)c2OC)cc1OC	ZINC000015271783	291224720	/nfs/dbraw/zinc/22/47/20/291224720.db2.gz	WQBRHVZCPYMWIG-UHFFFAOYSA-N	-2	3	404.371	2.914	1	0	biogenic,in-vitro	HFAFHL
COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(=O)c-3c([O-])c2[O-])cc1OC	ZINC000015271785	291224708	/nfs/dbraw/zinc/22/47/08/291224708.db2.gz	DXVIBUVPWYGAJO-UHFFFAOYSA-N	-2	3	404.371	2.914	1	0	biogenic,in-vitro	HFAFHL
CC(C)Oc1ccc(-c2ccnc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])c2)cc1	ZINC000084668835	606635904	/nfs/dbraw/zinc/63/59/04/606635904.db2.gz	DTXBFSJBRGLOHO-UHFFFAOYSA-N	-4	3	402.280	2.587	1	0	in-vitro	HFAFHL