smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=O)c1c(O)cccc1C3=O)C(=O)c1c(O)cccc1C2=O	ZINC000004098654	561693908	/nfs/dbraw/zinc/69/39/08/561693908.db2.gz	VUPMYTWJSPRETC-UHFFFAOYSA-N	0	2	506.466	4.344	10	10	biogenic,in-vitro	KICELN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccn4)c(OC)c3)C2=O)cc1	ZINC000008695557	553121874	/nfs/dbraw/zinc/12/18/74/553121874.db2.gz	WKEBQNFBDCDQQC-ODLFYWEKSA-N	0	2	538.354	4.107	10	10		KICELN
CCOC(=O)c1c(COc2ccccc2)n(C)c2cc(Br)c(O)c(CN3CCOCC3)c21	ZINC000034406829	553981387	/nfs/dbraw/zinc/98/13/87/553981387.db2.gz	LSQZONKCLLREJT-UHFFFAOYSA-N	0	2	503.393	4.234	10	10		KICELN
COc1cc(O)c2c(c1-c1c(O)c3c(cc1OC)C(=O)c1cc(C)cc(O)c1C3=O)C(=O)c1cc(C)cc(O)c1C2=O	ZINC000085763068	553686542	/nfs/dbraw/zinc/68/65/42/553686542.db2.gz	BJHQTGSKKZLDSE-UHFFFAOYSA-N	0	2	566.518	4.361	10	10	biogenic	KICELN
CCOC(=O)C(=C(O)C(=O)Nc1c(C)cccc1C(C)C)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104722460	571385695	/nfs/dbraw/zinc/38/56/95/571385695.db2.gz	CQTWPQSVTJSNOR-QHCPKHFHSA-N	0	2	565.582	4.397	10	10		KICELN
CCOC(=O)C(=C(O)C(=O)Nc1c(C)cccc1C(C)C)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104722465	571385680	/nfs/dbraw/zinc/38/56/80/571385680.db2.gz	CQTWPQSVTJSNOR-HSZRJFAPSA-N	0	2	565.582	4.397	10	10		KICELN