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-])CN1C(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000001915461	180902289	/nfs/dbraw/zinc/90/22/89/180902289.db2.gz	YREIRIKJAMPPHC-UHFFFAOYSA-N	-1	0	307.218	-0.030	1	5		DBBFRM
CC(C)C[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])[C@H](CC(=O)[O-])[N+](=O)[O-]	ZINC000005759684	181281457	/nfs/dbraw/zinc/28/14/57/181281457.db2.gz	LGJDFRQTFRTVII-ZKWXMUAHSA-N	-1	0	305.287	-0.951	1	5	in-vitro	DBBFRM
CC(C)C[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])[C@@H](CC(=O)[O-])[N+](=O)[O-]	ZINC000005759683	181281360	/nfs/dbraw/zinc/28/13/60/181281360.db2.gz	LGJDFRQTFRTVII-OOZYFLPDSA-N	-1	0	305.287	-0.951	1	5	in-vitro	DBBFRM
O=C(CC1(O)C(=O)[N-]C(=O)NC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000095577728	185380653	/nfs/dbraw/zinc/38/06/53/185380653.db2.gz	LGIWFZRBXLCBCI-UHFFFAOYSA-N	-1	0	307.218	-0.735	1	5		DBBFRM
N[C@@H](C(=O)NCCCC(=O)[O-])[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000040975978	183153216	/nfs/dbraw/zinc/15/32/16/183153216.db2.gz	XGQOGJPWJTXDHG-NEPJUHHUSA-N	-1	0	311.294	-0.064	1	5		DBBFRM