smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC001529012651	1066233693	/nfs/dbraw/zinc/23/36/93/1066233693.db2.gz	SHOGFKLEAOHMOJ-BXXSPATCSA-N	-2	1	674.668	-0.156	40	5		KBBBML
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC001529012652	1066233850	/nfs/dbraw/zinc/23/38/50/1066233850.db2.gz	SHOGFKLEAOHMOJ-ODAXIHTASA-N	-2	1	674.668	-0.156	40	5		KBBBML
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC001529012653	1066233584	/nfs/dbraw/zinc/23/35/84/1066233584.db2.gz	SHOGFKLEAOHMOJ-SSGKUCQKSA-N	-2	1	674.668	-0.156	40	5		KBBBML