smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CC[N@@H+](C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC	ZINC000003914839	561684586	/nfs/dbraw/zinc/68/45/86/561684586.db2.gz	ADAGRLDCCJAKFP-UHFFFAOYSA-N	1	1	537.613	4.841	10	5	in-vitro	KJBEMO
CCC1=C[C@@H]2C[N@+]([O-])(C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000575417833	717184311	/nfs/dbraw/zinc/18/43/11/717184311.db2.gz	XUUKRWNYIOVZAF-YOOMHKCYSA-N	1	1	809.981	4.700	10	5		KJBEMO
CCC1=C[C@@H]2C[N@+]([O-])(C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000605693024	717185688	/nfs/dbraw/zinc/18/56/88/717185688.db2.gz	SXJMGLAOMGPMMS-YOOMHKCYSA-N	1	1	808.973	4.809	10	5		KJBEMO