smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC(=O)O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000013550149	560219805	/nfs/dbraw/zinc/21/98/05/560219805.db2.gz	HXYASMGHIVHQEN-FRJWGUMJSA-N	-1	0	417.315	-0.512	1	0	in-vitro	HBAFRM
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1O	ZINC000032296544	291162439	/nfs/dbraw/zinc/16/24/39/291162439.db2.gz	GPYNRGVKMWCYIE-DIKOWXHZSA-N	-1	0	422.386	-0.067	1	0	biogenic,in-vitro	HBAFRM
O=C(OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)c1ccc(O)cc1	ZINC000033831675	560088683	/nfs/dbraw/zinc/08/86/83/560088683.db2.gz	JAKPEFAGBAKNJU-BFMVXSJESA-N	-1	0	422.386	-0.367	1	0	biogenic,in-vitro	HBAFRM
[NH3+][C@@H](Cn1cc(Br)c(=O)n(Cc2ccsc2C(=O)[O-])c1=O)C(=O)[O-]	ZINC000035323735	581101036	/nfs/dbraw/zinc/10/10/36/581101036.db2.gz	KKTBJRLDYITGOV-QMMMGPOBSA-N	-1	0	418.225	-0.008	1	0	in-vitro	HBAFRM
[NH3+][C@@H](Cn1cc(Br)c(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-]	ZINC000035323947	581101015	/nfs/dbraw/zinc/10/10/15/581101015.db2.gz	BYXXPKMVBHZYCC-NSHDSACASA-N	-1	0	412.196	-0.069	1	0		HBAFRM
CC(=O)Cc1cc(=O)c2c(C)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([O-])cc2o1	ZINC000085509159	291161953	/nfs/dbraw/zinc/16/19/53/291161953.db2.gz	JQJWMEOMYOPXGM-WIMVFMHDSA-N	-1	0	410.375	-0.883	1	0	biogenic,in-vitro	HBAFRM