smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#[N+]CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+]	ZINC000013519194	183317897	/nfs/dbraw/zinc/31/78/97/183317897.db2.gz	CBOIZHHBFFTMCQ-JTQLQIEISA-N	2	1	246.270	-0.458	1	10	in-vitro	BBCFMP
Cc1cc([C@@H]([NH3+])CO)c(O)c([C@@H]([NH3+])CO)c1	ZINC000040641087	178236118	/nfs/dbraw/zinc/23/61/18/178236118.db2.gz	ACUFTTZPKCFWBZ-UWVGGRQHSA-N	2	1	226.276	-0.315	1	10		BBCFMP