smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])NCC(=O)NNc1cc[nH+]cc1Cl	ZINC000832397562	603805888	/nfs/dbraw/zinc/80/58/88/603805888.db2.gz	XTVLZZFNAKEBIH-UHFFFAOYSA-N	0	2	244.638	-0.132	20	50		BBGDLN
C[C@@H](C(=O)NNC(=O)[O-])[NH+]1CCSCC1	ZINC000833792078	605841177	/nfs/dbraw/zinc/84/11/77/605841177.db2.gz	YYSCGAXHFRTDQB-LURJTMIESA-N	0	2	233.293	-0.278	20	50		BBGDLN
C[C@H](C(=O)NNC(=O)[O-])[NH+]1CCSCC1	ZINC000833792079	605841054	/nfs/dbraw/zinc/84/10/54/605841054.db2.gz	YYSCGAXHFRTDQB-ZCFIWIBFSA-N	0	2	233.293	-0.278	20	50		BBGDLN
O=C([O-])NNC(=O)[C@H]1CCn2cc[nH+]c2C1	ZINC000834250131	605751713	/nfs/dbraw/zinc/75/17/13/605751713.db2.gz	CKVNUXYXXRDSGD-LURJTMIESA-N	0	2	224.220	-0.256	20	50		BBGDLN
O=C([O-])NNC(=O)[C@@H]1CCn2cc[nH+]c2C1	ZINC000834250133	605751540	/nfs/dbraw/zinc/75/15/40/605751540.db2.gz	CKVNUXYXXRDSGD-ZCFIWIBFSA-N	0	2	224.220	-0.256	20	50		BBGDLN
O=C([O-])NNC(=O)[C@H]1CCn2c[nH+]cc2C1	ZINC000834250185	605842683	/nfs/dbraw/zinc/84/26/83/605842683.db2.gz	DUTUKTIHJBVAEB-LURJTMIESA-N	0	2	224.220	-0.256	20	50		BBGDLN
O=C([O-])NNC(=O)[C@@H]1CCn2c[nH+]cc2C1	ZINC000834250186	605842502	/nfs/dbraw/zinc/84/25/02/605842502.db2.gz	DUTUKTIHJBVAEB-ZCFIWIBFSA-N	0	2	224.220	-0.256	20	50		BBGDLN