smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=CC=Nc1c(=O)[n-]c(=O)[nH]c1NC[C@H](O)[C@H](O)[C@H](O)CO	ZINC000097654292	373628005	/nfs/dbraw/zinc/62/80/05/373628005.db2.gz	PUEQUELBQOQOOV-GJQDMXJLSA-N	-1	3	316.270	-3.549	10	30	in-vitro	DAEEHM
NC(=[NH2+])N[C@H](C[C@H](S)[C@@]([S-])(NC(N)=[NH2+])C(=O)[O-])C(=O)[O-]	ZINC000263584307	373157502	/nfs/dbraw/zinc/15/75/02/373157502.db2.gz	PPDNHWZAFOLSCN-CIUKIMSHSA-N	-1	3	324.388	-2.614	10	30		DAEEHM
NC(=[NH2+])N[C@H](C[C@@H](S)[C@]([S-])(NC(N)=[NH2+])C(=O)[O-])C(=O)[O-]	ZINC000263584309	373157519	/nfs/dbraw/zinc/15/75/19/373157519.db2.gz	PPDNHWZAFOLSCN-LROLMRGISA-N	-1	3	324.388	-2.614	10	30		DAEEHM
NC(=[NH2+])N[C@H](C[C@@H](S)[C@@]([S-])(NC(N)=[NH2+])C(=O)[O-])C(=O)[O-]	ZINC000263584308	373157906	/nfs/dbraw/zinc/15/79/06/373157906.db2.gz	PPDNHWZAFOLSCN-HJUPPGIQSA-N	-1	3	324.388	-2.614	10	30		DAEEHM
NC(=[NH2+])N[C@H](C[C@H](S)[C@]([S-])(NC(N)=[NH2+])C(=O)[O-])C(=O)[O-]	ZINC000263584310	373158878	/nfs/dbraw/zinc/15/88/78/373158878.db2.gz	PPDNHWZAFOLSCN-YJAKVNFISA-N	-1	3	324.388	-2.614	10	30		DAEEHM