smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+]1(CC(=O)c2ccc(-c3ccc(C(=O)C[N+]4(CC)CCOCC4)cc3)cc2)CCOCC1	ZINC000033875085	717122868	/nfs/dbraw/zinc/12/28/68/717122868.db2.gz	YLVLECZUVSCHFY-UHFFFAOYSA-N	2	0	466.622	3.453	10	30		JGEERP
C=CC[N@@H+]1C[C@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21	ZINC000003830352	562929507	/nfs/dbraw/zinc/92/95/07/562929507.db2.gz	KORNTPPJEAJQIU-NWSQWKLXSA-N	2	0	451.615	3.194	10	30		JGEERP
C=CC[N@@H+]1C[C@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]21	ZINC000003830350	562929454	/nfs/dbraw/zinc/92/94/54/562929454.db2.gz	KORNTPPJEAJQIU-LSWJPFSZSA-N	2	0	451.615	3.194	10	30	in-vitro	JGEERP