smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)cc(NCCC[NH+]2CCN(c3ccc4c(c3)OC[C@H](CO)O4)CC2)n(C)c1=O	ZINC000028332581	563052556	/nfs/dbraw/zinc/05/25/56/563052556.db2.gz	QTSKCJCWZQXFMQ-KRWDZBQOSA-N	1	0	445.520	-0.160	1	10		IBCFRO
Cn1c(=O)cc(NCCC[NH+]2CCN(c3ccc4c(c3)OC[C@@H](CO)O4)CC2)n(C)c1=O	ZINC000028332585	563052593	/nfs/dbraw/zinc/05/25/93/563052593.db2.gz	QTSKCJCWZQXFMQ-QGZVFWFLSA-N	1	0	445.520	-0.160	1	10		IBCFRO
NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCC[NH3+])NC(=O)C=Cc1ccc(O)c(O)c1	ZINC000053229440	563141391	/nfs/dbraw/zinc/14/13/91/563141391.db2.gz	HYWRYOITIZTEES-MCXNIAKKSA-N	1	0	444.492	-0.339	1	10		IBCFRO
NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C=Cc1ccc(O)c(O)c1	ZINC000053313276	563142064	/nfs/dbraw/zinc/14/20/64/563142064.db2.gz	UXPNZJWOMMVNJB-MCXNIAKKSA-N	1	0	444.492	-0.339	1	10		IBCFRO
C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCCC(=O)C[N+]#N)NC(=O)[C@H](C)NC1=O	ZINC000095582623	563187982	/nfs/dbraw/zinc/18/79/82/563187982.db2.gz	PMVUKXCTCRLPHW-SDADXPQNSA-N	1	0	434.497	-0.695	1	10		IBCFRO