smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1N)C(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000070670038	553600076	/nfs/dbraw/zinc/60/00/76/553600076.db2.gz	ZLQLGLFGTQNAAJ-VXKWHMMOSA-N	1	0	581.634	-0.038	50	5	biogenic	KBBARO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1N)C(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000104021975	571371325	/nfs/dbraw/zinc/37/13/25/571371325.db2.gz	ZLQLGLFGTQNAAJ-FCHUYYIVSA-N	1	0	581.634	-0.038	50	5		KBBARO
CC1(C)O[C@H]2O[C@H]([C@H](O)C[N@H+](C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)[C@H](O)[C@H]2O1	ZINC000261493234	572111995	/nfs/dbraw/zinc/11/19/95/572111995.db2.gz	INEXGVIWXUFFLU-HCVQLXTOSA-N	1	0	788.757	-0.981	50	5		KBBARO
CC1(C)O[C@H]2O[C@H]([C@H](O)C[NH+](C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](O)[C@H]2O1	ZINC000261493235	572111847	/nfs/dbraw/zinc/11/18/47/572111847.db2.gz	INEXGVIWXUFFLU-KXKNPTHKSA-N	1	0	788.757	-0.981	50	5		KBBARO
CC1(C)O[C@H]2O[C@H]([C@@H](O)C[NH+](C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)[C@H](O)[C@H]2O1	ZINC000261493236	572111870	/nfs/dbraw/zinc/11/18/70/572111870.db2.gz	INEXGVIWXUFFLU-MALVHUFKSA-N	1	0	788.757	-0.981	50	5		KBBARO
CC1(C)O[C@H]2O[C@H]([C@@H](O)C[NH+](C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](O)[C@H]2O1	ZINC000261493237	572112032	/nfs/dbraw/zinc/11/20/32/572112032.db2.gz	INEXGVIWXUFFLU-QAAYXQEYSA-N	1	0	788.757	-0.981	50	5		KBBARO