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=[NH+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000100364294	571803152	/nfs/dbraw/zinc/80/31/52/571803152.db2.gz	MBFJCQLVRQZZOV-OKHJIJNZSA-N	-2	0	374.349	0.800	1	30	endogenous,in-man	FCEFRL
COS(=O)(=O)[N-]C(=O)CCCCCCNC(=O)N=S(C)(=O)[O-]	ZINC000045336092	208331921	/nfs/dbraw/zinc/33/19/21/208331921.db2.gz	CWBIPAGOYCZWNP-UHFFFAOYSA-N	-2	0	359.426	0.248	1	30		FCEFRL
O=C([O-])C(=O)C=C([O-])c1ccc2ncc(C(=O)C=C(O)C(=O)[O-])c(O)c2c1	ZINC000103220539	222326648	/nfs/dbraw/zinc/32/66/48/222326648.db2.gz	APIOKBMGYJFPOL-JWZUQALGSA-N	-3	0	373.273	0.947	1	30		FCEFRL
O=C([O-])C1=CC(=CC=[NH+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000030726503	571742177	/nfs/dbraw/zinc/74/21/77/571742177.db2.gz	MBFJCQLVRQZZOV-BXGCPZJMSA-N	-2	0	374.349	0.800	1	30	endogenous,in-man	FCEFRL
O=C([O-])C1=CC(=CC=[NH+][C@H](Cc2ccc(O)cc2)C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000100364298	571803358	/nfs/dbraw/zinc/80/33/58/571803358.db2.gz	MBFJCQLVRQZZOV-RGWCUHRPSA-N	-2	0	374.349	0.800	1	30	endogenous,in-man	FCEFRL
O=C([O-])C1=CC(=CC=[NH+][C@H](Cc2ccc(O)cc2)C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000034944251	571752722	/nfs/dbraw/zinc/75/27/22/571752722.db2.gz	MBFJCQLVRQZZOV-LSFZBACVSA-N	-2	0	374.349	0.800	1	30	endogenous,in-man	FCEFRL