smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2c(c3c1C(=O)c1c([O-])cccc1C3=O)C(=O)CC(C)(C)C2	ZINC000040393955	213296824	/nfs/dbraw/zinc/29/68/24/213296824.db2.gz	DPPHTZVOSLOGOI-UHFFFAOYSA-N	-1	1	335.359	3.026	1	10		EGCFMM
C[C@H]1Oc2cc3oc4c(O)c([O-])ccc4c(=O)c3c(O)c2C1(C)C	ZINC000013125732	211525021	/nfs/dbraw/zinc/52/50/21/211525021.db2.gz	UMGNGSNVYJDUQS-SSDOTTSWSA-N	-1	1	328.320	3.122	3	10	biogenic,in-vitro	EGCFMM
COc1cc2oc(-c3ccc(O)c(O)c3OC)c(C=O)c2c([O-])c1	ZINC000015117903	560228504	/nfs/dbraw/zinc/22/85/04/560228504.db2.gz	VUKCFTVODWLXPK-UHFFFAOYSA-N	-1	1	330.292	3.046	1	10	biogenic,in-vitro	EGCFMM
C[C@H]1c2c(cc(O)c3c(=O)c4ccc([O-])c(O)c4oc23)OC1(C)C	ZINC000085646247	290996263	/nfs/dbraw/zinc/99/62/63/290996263.db2.gz	CXVIOKUKRAYTPO-ZETCQYMHSA-N	-1	1	328.320	3.338	1	10	biogenic,in-vitro	EGCFMM
C[C@@H]1Oc2cc3oc4c(O)c([O-])ccc4c(=O)c3c(O)c2C1(C)C	ZINC000013125731	201056724	/nfs/dbraw/zinc/05/67/24/201056724.db2.gz	UMGNGSNVYJDUQS-ZETCQYMHSA-N	-1	1	328.320	3.122	3	10		EGCFMM
CCOCc1cc(O)c([O-])c(Br)c1Br	ZINC000013450397	201057472	/nfs/dbraw/zinc/05/74/72/201057472.db2.gz	KEOOZBGAPIEERQ-UHFFFAOYSA-N	-1	1	325.984	3.159	1	10		EGCFMM
CCOCc1cc(Br)c(O)c([O-])c1Br	ZINC000038356134	213207893	/nfs/dbraw/zinc/20/78/93/213207893.db2.gz	VMBLTZAYZFEFDT-UHFFFAOYSA-N	-1	1	325.984	3.159	1	10		EGCFMM
CCOCc1cc(Br)c([O-])c(O)c1Br	ZINC000038356134	213207896	/nfs/dbraw/zinc/20/78/96/213207896.db2.gz	VMBLTZAYZFEFDT-UHFFFAOYSA-N	-1	1	325.984	3.159	1	10		EGCFMM
O=C1c2ccccc2C(=O)c2c(O)c(Cc3ccccc3)c([O-])cc21	ZINC000013376419	560215449	/nfs/dbraw/zinc/21/54/49/560215449.db2.gz	FQURQNLGRCILOM-UHFFFAOYSA-N	-1	1	330.339	3.464	1	10	biogenic,in-vitro	EGCFMM