smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](Cn1cc(C(F)(F)F)c(=O)n(Cc2ccsc2C(=O)[O-])c1=O)C(=O)[O-]	ZINC000035324095	581100992	/nfs/dbraw/zinc/10/09/92/581100992.db2.gz	HKSQGDWOBVXCCP-QMMMGPOBSA-N	-2	3	407.326	0.249	1	0		HCAFHL
O=C([O-])[C@@H]1O[C@H](Oc2cc([O-])cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000065748610	291184979	/nfs/dbraw/zinc/18/49/79/291184979.db2.gz	QWSAYEBSTMCFKY-WPQPILLISA-N	-2	3	404.371	0.539	1	0	biogenic,in-vitro	HCAFHL
O=C([O-])[C@@H]1O[C@H](Oc2cc([O-])cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000065748613	291184977	/nfs/dbraw/zinc/18/49/77/291184977.db2.gz	QWSAYEBSTMCFKY-CBNORAOZSA-N	-2	3	404.371	0.539	1	0	biogenic,in-vitro	HCAFHL