smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1c2cccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000004019716	560193238	/nfs/dbraw/zinc/19/32/38/560193238.db2.gz	XIYOPDCBBDCGOE-IWVLMIASSA-N	-2	2	442.424	-0.595	40	30	in-vitro	IBEBLL
C[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000100056779	568839607	/nfs/dbraw/zinc/83/96/07/568839607.db2.gz	UEVKMCOZLJYVNG-NMMSOKQRSA-N	-2	2	444.440	-0.504	40	30	in-vitro	IBEBLL