smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1nccn1C[C@@H](O)C[NH2+]CCO	ZINC000001584212	188096443	/nfs/dbraw/zinc/09/64/43/188096443.db2.gz	QTQYNIHOQCATOC-ZETCQYMHSA-N	1	0	230.224	-1.266	1	5		BABFRO
C[N+](C)(C)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000031520208	717119878	/nfs/dbraw/zinc/11/98/78/717119878.db2.gz	XJJVSXNWONDQRZ-QMGXLNLGSA-N	1	0	222.261	-2.508	1	5	in-vitro	BABFRO
C[N+](C)(C)[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000035495801	717125129	/nfs/dbraw/zinc/12/51/29/717125129.db2.gz	SYZAECJPHGGBMC-JGKVKWKGSA-N	1	0	222.261	-2.508	1	5	in-vitro	BABFRO
C[N+](C)(C)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000040429790	717127511	/nfs/dbraw/zinc/12/75/11/717127511.db2.gz	AECDELJRRICHOX-UYXSQOIJSA-N	1	0	206.262	-1.826	1	5		BABFRO
CC[N+](C)(C)[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O	ZINC000103171604	717146124	/nfs/dbraw/zinc/14/61/24/717146124.db2.gz	PZDPDTJFVYGBQP-IGORNWKESA-N	1	0	236.288	-2.117	1	5		BABFRO
CC[N+](C)(C)[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000103171608	717146214	/nfs/dbraw/zinc/14/62/14/717146214.db2.gz	PZDPDTJFVYGBQP-VVULQXIFSA-N	1	0	236.288	-2.117	1	5		BABFRO