smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=N[N+](=O)[O-])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)C(=O)N[O-]	ZINC000045391449	563134044	/nfs/dbraw/zinc/13/40/44/563134044.db2.gz	MERBYHIQINGLJP-SRVKXCTJSA-N	0	3	428.450	-2.195	1	30		IAEFHN
C=CCOc1ccc(C[C@H](N)C(=O)NC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)cc1	ZINC000061922339	563149388	/nfs/dbraw/zinc/14/93/88/563149388.db2.gz	LXMORBNJPZSQSQ-MIGDXVIRSA-N	0	3	445.476	-1.304	3	30		IAEFHN