smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C1=CC(=CC=N[C@@H](Cc2ccc(O)c(O)c2)C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000100204071	571802677	/nfs/dbraw/zinc/80/26/77/571802677.db2.gz	YSNPSKZBOQYUHH-AFUNOPLTSA-N	-3	3	390.348	0.506	1	30	endogenous,in-man	GCEFHL
O=C([O-])C1=CC(=CC=[N+]2c3cc([O-])c(O)cc3C[C@H]2C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000043769556	571764759	/nfs/dbraw/zinc/76/47/59/571764759.db2.gz	XHJKHSXHWJCBLX-YPMHNXCESA-O	-3	3	389.340	0.163	1	30	endogenous,in-man	GCEFHL
O=C([O-])C1=CC(=CC=[N+]2c3cc(O)c([O-])cc3C[C@H]2C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000043769556	571764767	/nfs/dbraw/zinc/76/47/67/571764767.db2.gz	XHJKHSXHWJCBLX-YPMHNXCESA-O	-3	3	389.340	0.163	1	30	endogenous,in-man	GCEFHL
O=C([O-])C1=CC(=CC=[N+]2c3cc([O-])c(O)cc3C[C@@H]2C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000071756651	571780369	/nfs/dbraw/zinc/78/03/69/571780369.db2.gz	XHJKHSXHWJCBLX-WCQYABFASA-O	-3	3	389.340	0.163	1	30	endogenous,in-man	GCEFHL
O=C([O-])C1=CC(=CC=[N+]2c3cc(O)c([O-])cc3C[C@@H]2C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000071756651	571780375	/nfs/dbraw/zinc/78/03/75/571780375.db2.gz	XHJKHSXHWJCBLX-WCQYABFASA-O	-3	3	389.340	0.163	1	30	endogenous,in-man	GCEFHL
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)[O-])CC(=O)N[O-]	ZINC000013741985	210088043	/nfs/dbraw/zinc/08/80/43/210088043.db2.gz	NBDGYUOAVSOSOD-KGLIPLIRSA-N	-2	3	379.413	0.227	1	30		GCEFHL
NC(=N[O-])c1ccc(S(=O)(=O)C=C([O-])c2ccc(C(N)=NO)cc2)cc1	ZINC000064416905	222071198	/nfs/dbraw/zinc/07/11/98/222071198.db2.gz	ZLVIDFKNRLNTRT-UHFFFAOYSA-N	-2	3	376.394	0.532	1	30		GCEFHL
O=C([O-])C1=CC(=CC=[N+]2c3cc([O-])c(O)cc3C[C@@H]2C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000001531169	206386335	/nfs/dbraw/zinc/38/63/35/206386335.db2.gz	XHJKHSXHWJCBLX-DGCLKSJQSA-O	-3	3	389.340	0.163	1	30	endogenous,in-man	GCEFHL
O=C([O-])C1=CC(=CC=[N+]2c3cc(O)c([O-])cc3C[C@@H]2C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000001531169	206386338	/nfs/dbraw/zinc/38/63/38/206386338.db2.gz	XHJKHSXHWJCBLX-DGCLKSJQSA-O	-3	3	389.340	0.163	1	30	endogenous,in-man	GCEFHL