smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(=O)c(-c3ccc([O-])cc3)coc2cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000012495612	571694758	/nfs/dbraw/zinc/69/47/58/571694758.db2.gz	OZBAVEKZGSOMOJ-SSXICUSMSA-N	-1	3	446.408	0.353	10	0	endogenous,in-man	ICAEHM
CN(CCc1ccccc1)[C@H]1[C@@H](C[N-]S(=O)(=O)c2cccs2)O[C@@H](CO)[C@H]1O	ZINC000020465776	522955363	/nfs/dbraw/zinc/95/53/63/522955363.db2.gz	NOAZZZVHZSQHEF-KCITZHQASA-N	-1	3	426.560	0.690	10	0		ICAEHM
CN(C)C[C@@H](c1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1)C1(O)CCCCC1	ZINC000021981413	521829415	/nfs/dbraw/zinc/82/94/15/521829415.db2.gz	GRDOISGIGBUYGA-NKGNIGRLSA-N	-1	3	439.505	0.298	10	0	in-vitro	ICAEHM
CN(C)C[C@@H](c1ccc(O[C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1)C1(O)CCCCC1	ZINC000021981417	521827385	/nfs/dbraw/zinc/82/73/85/521827385.db2.gz	GRDOISGIGBUYGA-SFCTXJNXSA-N	-1	3	439.505	0.298	10	0		ICAEHM
COC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc([O-])cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000022055406	523997150	/nfs/dbraw/zinc/99/71/50/523997150.db2.gz	XQFWBDXNLSIFNE-SXFAUFNYSA-N	-1	3	444.392	0.525	10	0	in-vitro	ICAEHM