smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NC(=O)Nc3cccc(C#N)c3)[C@@H]2O)CC1	ZINC000022922192	560091987	/nfs/dbraw/zinc/09/19/87/560091987.db2.gz	RUSVHWLFZURMNP-HSFUPAIVSA-N	1	1	387.440	-0.220	40	30	biogenic,in-vitro	GBEBMO
NC(=[NH2+])NCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000035024591	570548547	/nfs/dbraw/zinc/54/85/47/570548547.db2.gz	IUMFVSMNETWFNX-KGLIPLIRSA-N	1	1	391.432	-0.095	40	30		GBEBMO
NC(=[NH2+])NCCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000035024594	570548689	/nfs/dbraw/zinc/54/86/89/570548689.db2.gz	IUMFVSMNETWFNX-ZIAGYGMSSA-N	1	1	391.432	-0.095	40	30		GBEBMO