smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1O[C@@H](c2ccc3c(c2[O-])C(=O)c2ccc4c(c2C3=O)C(=O)C[C@](C)(O)C4)C[C@@H](O[C@H]2CC[C@H](O)[C@H](C)O2)[C@@H]1O	ZINC000004654733	560199036	/nfs/dbraw/zinc/19/90/36/560199036.db2.gz	UHODELBZXFLXFX-UXUTXJLASA-N	-1	0	566.603	2.529	10	10	in-vitro	KFCERM
COC(=O)[C@@H]1c2c(c(O)ccc2/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)[O-])O[C@@H]1c1ccc(O)c(O)c1	ZINC000085530894	560073388	/nfs/dbraw/zinc/07/33/88/560073388.db2.gz	NFOCYHUCMXEHDG-ZQQFBUADSA-N	-1	0	552.488	2.857	10	10	biogenic,in-vitro	KFCERM
COc1cc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000100314953	554302744	/nfs/dbraw/zinc/30/27/44/554302744.db2.gz	PJSNKSZOCDGHJD-LICLKQGHSA-N	-1	0	558.456	2.880	10	10		KFCERM
CCOC(=O)C(=C([O-])C(=O)Nc1ccccc1C(=O)OC)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104658287	571384536	/nfs/dbraw/zinc/38/45/36/571384536.db2.gz	FZYXWCJURFRYOQ-NRFANRHFSA-N	-1	0	567.510	2.752	10	10		KFCERM
CCOC(=O)C(=C([O-])C(=O)Nc1ccccc1C(=O)OC)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104658292	571384577	/nfs/dbraw/zinc/38/45/77/571384577.db2.gz	FZYXWCJURFRYOQ-OAQYLSRUSA-N	-1	0	567.510	2.752	10	10		KFCERM