smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([O-])c(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)c1	ZINC000011932672	556675974	/nfs/dbraw/zinc/67/59/74/556675974.db2.gz	VAQHIDREUNSPAQ-SANMLTNESA-N	1	3	438.612	4.602	50	10		IJCAHO
COc1ccc([O-])c(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)c1	ZINC000011932672	556675977	/nfs/dbraw/zinc/67/59/77/556675977.db2.gz	VAQHIDREUNSPAQ-SANMLTNESA-N	1	3	438.612	4.602	50	10		IJCAHO
COc1ccc([O-])c(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)c1	ZINC000011932673	556676003	/nfs/dbraw/zinc/67/60/03/556676003.db2.gz	VAQHIDREUNSPAQ-AREMUKBSSA-N	1	3	438.612	4.602	50	10		IJCAHO
COc1ccc([O-])c(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)c1	ZINC000011932673	556676005	/nfs/dbraw/zinc/67/60/05/556676005.db2.gz	VAQHIDREUNSPAQ-AREMUKBSSA-N	1	3	438.612	4.602	50	10		IJCAHO