smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Br)c(O)c(O)c(O[C@H](C)c2ccccc2)c1C=O	ZINC000095942419	570471784	/nfs/dbraw/zinc/47/17/84/570471784.db2.gz	SWRIBGYXUGVTRP-SNVBAGLBSA-N	0	2	351.196	4.121	10	10		FICELN
O=C([O-])c1ccc([C@@H](Nc2cccc[nH+]2)c2ccc3cccnc3c2O)cc1	ZINC000006644662	204257047	/nfs/dbraw/zinc/25/70/47/204257047.db2.gz	CGVCYJQZKDEBIO-LJQANCHMSA-N	0	2	371.396	4.235	10	10		FICELN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)cc1	ZINC000001192492	132380782	/nfs/dbraw/zinc/38/07/82/132380782.db2.gz	JNPNTPXTUWHBJF-PDGQHHTCSA-N	0	2	364.401	4.325	10	10		FICELN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccccc2)o1	ZINC000058822752	136131916	/nfs/dbraw/zinc/13/19/16/136131916.db2.gz	RPAYBYZZDIKVDM-LGMDPLHJSA-N	0	2	358.353	4.453	10	10		FICELN
Cc1c(Br)c(O)c(O)c(O[C@@H](C)c2ccccc2)c1C=O	ZINC000095942418	570471775	/nfs/dbraw/zinc/47/17/75/570471775.db2.gz	SWRIBGYXUGVTRP-JTQLQIEISA-N	0	2	351.196	4.121	10	10		FICELN
O=C([O-])c1ccc([C@H](Nc2cccc[nH+]2)c2ccc3cccnc3c2O)cc1	ZINC000006644660	570650905	/nfs/dbraw/zinc/65/09/05/570650905.db2.gz	CGVCYJQZKDEBIO-IBGZPJMESA-N	0	2	371.396	4.235	10	10		FICELN
CCOc1ccc(Cl)cc1C=C1C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000058822848	535731415	/nfs/dbraw/zinc/73/14/15/535731415.db2.gz	SVCHVJBVJBOMIJ-PTNGSMBKSA-N	0	2	370.792	4.245	10	10		FICELN
O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=Cc1ccc(F)cc1	ZINC000001225691	132381297	/nfs/dbraw/zinc/38/12/97/132381297.db2.gz	CPJLEXXPSVXDOZ-SFQUDFHCSA-N	0	2	360.344	4.486	10	10		FICELN