smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1nc2ccccc2nc1C(=O)Nc1ccc([O-])c(CN2CCOCC2)c1	ZINC000040563926	205067542	/nfs/dbraw/zinc/06/75/42/205067542.db2.gz	BYKDVKNVSQMTFT-UHFFFAOYSA-N	-1	3	394.431	2.429	1	10		GECFHM
Cc1cc2c(=O)c(O)c(-c3ccc([O-])c(O)c3)oc2c(N2C(=O)CN(C)C2=O)c1	ZINC000028822445	581091440	/nfs/dbraw/zinc/09/14/40/581091440.db2.gz	JAUGANJKYLICJK-UHFFFAOYSA-N	-1	3	396.355	2.284	1	10		GECFHM
COc1cc2c(c([O-])c1O)C(=O)[C@H](OC)[C@@H](c1cc(O)c(OC)c(OC)c1)O2	ZINC000069482256	291116005	/nfs/dbraw/zinc/11/60/05/291116005.db2.gz	UILSQFXJBUZWGA-MJGOQNOKSA-N	-1	3	392.360	2.161	1	10	biogenic,in-vitro	GECFHM
C[C@H]1O[C@@H](c2ccc3c(c2[O-])C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@@H]1O	ZINC000026259024	207311522	/nfs/dbraw/zinc/31/15/22/207311522.db2.gz	GESCOWUSZSUUEF-ZSDNKIRRSA-N	-1	3	381.428	2.309	1	10		GECFHM
COc1cc([O-])c2c(c1OC(C)=O)C(=O)c1cc(C)c(OC(C)=O)cc1C2=O	ZINC000084759519	211176509	/nfs/dbraw/zinc/17/65/09/211176509.db2.gz	HVCPDVLSJSEEQU-UHFFFAOYSA-N	-1	3	384.340	2.335	1	10		GECFHM
COc1cc(OC(C)=O)c2c(c1[O-])C(=O)c1cc(C)c(OC(C)=O)cc1C2=O	ZINC000084759520	211176369	/nfs/dbraw/zinc/17/63/69/211176369.db2.gz	ILZLWCFVHZUCLY-UHFFFAOYSA-N	-1	3	384.340	2.335	1	10		GECFHM
COc1ccc(-c2oc3c(OC)c(OC)c(O)c(=O)c-3c([O-])c2OC)cc1N	ZINC000066251162	222138762	/nfs/dbraw/zinc/13/87/62/222138762.db2.gz	LBLZVWVKDFMTMA-UHFFFAOYSA-N	-1	3	389.360	2.488	1	10		GECFHM