smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[S@@](=O)CCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097565	560194750	/nfs/dbraw/zinc/19/47/50/560194750.db2.gz	PHYYADMVYQURSX-IRQZYMAESA-N	-1	0	423.487	-2.189	10	30	in-vitro	HAEERM
C[S@](=O)CCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097566	291159501	/nfs/dbraw/zinc/15/95/01/291159501.db2.gz	PHYYADMVYQURSX-MBJPBQKVSA-N	-1	0	423.487	-2.189	10	30	biogenic,in-vitro	HAEERM
C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)[O-]	ZINC000085645430	291152134	/nfs/dbraw/zinc/15/21/34/291152134.db2.gz	MQLSOVRLZHTATK-IGSLVEBWSA-N	-1	0	404.368	-1.891	10	30	biogenic,in-vitro	HAEERM
C=CC[C@H](O)C/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000257758143	519118628	/nfs/dbraw/zinc/11/86/28/519118628.db2.gz	ZEGLQSKFSKZGRO-HPXCOSFBSA-N	-1	0	403.431	-2.021	10	30		HAEERM