smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
S=C1NC[C@@H](CI)[N+]12CCOCC2	ZINC000000321331	717087495	/nfs/dbraw/zinc/08/74/95/717087495.db2.gz	NKIPNKAKVXZRQI-SSDOTTSWSA-O	1	0	313.184	0.525	40	50		DCGBRO
COc1cc(/C=N\NC(=O)C[N+](C)(C)C)cc(OC)c1OC	ZINC000031283653	717119193	/nfs/dbraw/zinc/11/91/93/717119193.db2.gz	BQQTYFYHEDLIFO-SXGWCWSVSA-O	1	0	310.374	0.869	40	50		DCGBRO
COc1cc(/C=N/NC(=O)C[N+](C)(C)C)cc(OC)c1OC	ZINC000001637934	717088645	/nfs/dbraw/zinc/08/86/45/717088645.db2.gz	BQQTYFYHEDLIFO-CXUHLZMHSA-O	1	0	310.374	0.869	40	50		DCGBRO
S=C1NC[C@H](CI)[N+]12CCOCC2	ZINC000000321329	717087800	/nfs/dbraw/zinc/08/78/00/717087800.db2.gz	NKIPNKAKVXZRQI-ZETCQYMHSA-O	1	0	313.184	0.525	40	50		DCGBRO