smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064448165	563153328	/nfs/dbraw/zinc/15/33/28/563153328.db2.gz	GVXINRLUIFAHLE-FQEVSTJZSA-N	2	2	441.491	2.012	1	10		IECFLP
C[NH+](C)CCCNc1c2ccccc2[nH+]c2c(N(CCO)CCO)ccc([N+](=O)[O-])c12	ZINC000005957727	562945556	/nfs/dbraw/zinc/94/55/56/562945556.db2.gz	SELDPLZGOLEBMS-UHFFFAOYSA-N	2	2	427.505	2.451	1	10		IECFLP
Cc1[nH]c(=O)nc(NCC[NH2+]CCO)c1C(=O)Nc1c2ccccc2[nH+]c2ccccc21	ZINC000005581691	562944287	/nfs/dbraw/zinc/94/42/87/562944287.db2.gz	AJJVNWZXCBSIAH-UHFFFAOYSA-N	2	2	432.484	2.026	1	10		IECFLP
[NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447838	563153323	/nfs/dbraw/zinc/15/33/23/563153323.db2.gz	GVXINRLUIFAHLE-HXUWFJFHSA-N	2	2	441.491	2.012	1	10		IECFLP