smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1cccs1)C(=O)[O-])[C@@](O)(CC(=O)O)C(=O)[O-]	ZINC000095598398	562777413	/nfs/dbraw/zinc/77/74/13/562777413.db2.gz	JUOYWAUPMHNLHE-QQSGZZEWSA-N	-2	2	581.728	4.593	1	30		KJEFLL
O=C(Nc1ccc2c(c1)N(O)C(=O)C2C(=O)c1ccccc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000101692003	562811753	/nfs/dbraw/zinc/81/17/53/562811753.db2.gz	LQJHFZMCTYXIAL-VHXPQNKSSA-N	-3	2	533.587	4.963	1	30		KJEFLL
CCCC(=O)c1c(O)c(CC2=C([O-])C(C)(C)C([O-])=C(C(=O)CC)C2=O)c(O)c(CC2C(=O)C(C(C)=O)=C([O-])C(C)(C)C2=O)c1O	ZINC000103540130	565195137	/nfs/dbraw/zinc/19/51/37/565195137.db2.gz	LVPYBOBVOZCRRB-UHFFFAOYSA-N	-3	2	626.655	4.906	1	30	biogenic,in-vitro	KJEFLL
CCCC(=O)c1c(O)c(CC2=C([O-])C(C)(C)C([O-])=C(C(C)=O)C2=O)c(O)c(CC2C(=O)C(C(=O)CC)=C([O-])C(C)(C)C2=O)c1O	ZINC000103540130	565195129	/nfs/dbraw/zinc/19/51/29/565195129.db2.gz	LVPYBOBVOZCRRB-UHFFFAOYSA-N	-3	2	626.655	4.906	1	30	biogenic,in-vitro	KJEFLL