smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\[O-])c3csc(N)n3)[C@H]2SC1	ZINC000003927198	570353409	/nfs/dbraw/zinc/35/34/09/570353409.db2.gz	RTXOFQZKPXMALH-GHXIOONMSA-N	-2	1	395.422	-0.172	50	30	fda	GBEAML
C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\[O-])c3csc(N)n3)[C@@H]2SC1	ZINC000008584438	204280532	/nfs/dbraw/zinc/28/05/32/204280532.db2.gz	RTXOFQZKPXMALH-HYPSZOGVSA-N	-2	1	395.422	-0.172	50	30	in-vitro	GBEAML
C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N/[O-])c3csc(N)n3)[C@H]2SC1	ZINC000013119676	221261609	/nfs/dbraw/zinc/26/16/09/221261609.db2.gz	RTXOFQZKPXMALH-RWFJUVPESA-N	-2	1	395.422	-0.172	50	30	in-vitro	GBEAML
CCc1nnc(N=NCc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])n1N	ZINC000098086400	522755950	/nfs/dbraw/zinc/75/59/50/522755950.db2.gz	KWIDRZBIJZPILV-AWNIVKPZSA-N	-2	1	390.403	-0.506	50	30		GBEAML
C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)C(=N[O-])c3csc(N)n3)[C@H]2SC1	ZINC000256000206	570757791	/nfs/dbraw/zinc/75/77/91/570757791.db2.gz	RTXOFQZKPXMALH-PRHODGIISA-N	-2	1	395.422	-0.172	50	30	investigational	GBEAML