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	561684583	/nfs/dbraw/zinc/68/45/83/561684583.db2.gz	ADAGRLDCCJAKFP-UHFFFAOYSA-N	1	0	537.613	4.841	10	5	in-vitro	KJBERO
Cc1nc2n(c(=O)c1CC[N+]1(CCc3c(C)nc4n(c3=O)CCCC4)CCC(c3noc4cc(F)ccc43)CC1)CCCC2	ZINC000072131319	553642638	/nfs/dbraw/zinc/64/26/38/553642638.db2.gz	ARVRJOTVAAUJHR-UHFFFAOYSA-N	1	0	601.747	4.549	10	5	in-vitro	KJBERO
C=CC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1	ZINC000100223028	717142546	/nfs/dbraw/zinc/14/25/46/717142546.db2.gz	JFTNADUFFQXKTQ-UOQVMRJOSA-N	1	0	570.703	4.840	10	5		KJBERO
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	717184307	/nfs/dbraw/zinc/18/43/07/717184307.db2.gz	XUUKRWNYIOVZAF-YOOMHKCYSA-N	1	0	809.981	4.700	10	5		KJBERO
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	717185686	/nfs/dbraw/zinc/18/56/86/717185686.db2.gz	SXJMGLAOMGPMMS-YOOMHKCYSA-N	1	0	808.973	4.809	10	5		KJBERO