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+](CCC[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@@H+](C)CCCNC(=O)[C@@H](Cc4cnc[nH]4)NC(=O)CNC(=O)C[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758253	/nfs/dbraw/zinc/75/82/53/562758253.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	4	1	773.896	-1.910	1	5		KABFMP
C[NH+](CCC[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@H+](C)CCCNC(=O)[C@@H](Cc4cnc[nH]4)NC(=O)CNC(=O)C[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758252	/nfs/dbraw/zinc/75/82/52/562758252.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	4	1	773.896	-1.910	1	5		KABFMP
C[NH+](CCCNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)C[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@@H+](C)CCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758251	/nfs/dbraw/zinc/75/82/51/562758251.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	4	1	773.896	-1.910	1	5		KABFMP
C[NH+](CCCNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)C[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@H+](C)CCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758250	/nfs/dbraw/zinc/75/82/50/562758250.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	4	1	773.896	-1.910	1	5		KABFMP
C[NH+](CCC[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@@H+](C)CCCNC(=O)[C@@H](Cc4c[nH]cn4)NC(=O)CNC(=O)C[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758249	/nfs/dbraw/zinc/75/82/49/562758249.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	4	1	773.896	-1.910	1	5		KABFMP
C[NH+](CCC[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@H+](C)CCCNC(=O)[C@@H](Cc4c[nH]cn4)NC(=O)CNC(=O)C[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758248	/nfs/dbraw/zinc/75/82/48/562758248.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	4	1	773.896	-1.910	1	5		KABFMP
C[NH+](CCCNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CNC(=O)C[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@@H+](C)CCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758247	/nfs/dbraw/zinc/75/82/47/562758247.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	4	1	773.896	-1.910	1	5		KABFMP