smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])Oc3cccc([N+](=O)[O-])c3)O2)c(=O)[nH]c1=O	ZINC000029467963	563080540	/nfs/dbraw/zinc/08/05/40/563080540.db2.gz	WVSAZNILOVVXAD-BFHYXJOUSA-N	-1	0	443.305	0.598	1	5		ICBFRM
COc1cc2cc3oc(C)cc(=O)c3c([O-])c2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000033753283	563084704	/nfs/dbraw/zinc/08/47/04/563084704.db2.gz	CDMUGCVTTUOCFT-IAAKTDFRSA-N	-1	0	434.397	0.148	1	5		ICBFRM
O=C([O-])Cn1nc2n(Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c3ccccc3n2c(=O)c1=O	ZINC000049070636	563137719	/nfs/dbraw/zinc/13/77/19/563137719.db2.gz	MVPWSQUFLOQYRA-UHFFFAOYSA-N	-1	0	440.328	0.760	1	5		ICBFRM
COc1c([O-])cc2c(=O)oc3c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(C)cc4c(=O)oc1c2c43	ZINC000095485958	291313198	/nfs/dbraw/zinc/31/31/98/291313198.db2.gz	MNGJSNIYVSMAHY-TWAQLQNUSA-N	-1	0	446.364	0.331	1	5	biogenic,in-vitro	ICBFRM