smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[N+]1(CCCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715230	717127328	/nfs/dbraw/zinc/12/73/28/717127328.db2.gz	AQZYURUQCSTYCC-XDWAVFMPSA-N	1	0	444.589	2.293	10	5		IEBERO
CCCC[N+]1(CCCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715231	717127513	/nfs/dbraw/zinc/12/75/13/717127513.db2.gz	GNLDZXJIQWUBSX-XDWAVFMPSA-N	1	0	444.589	2.437	10	5		IEBERO
COc1ccc2c(c1OC)[C@H](O)[N@@+]1(C)CCc3cc4c(c(O)c3[C@@H]1[C@H]2OC(C)=O)OCO4	ZINC000936069451	717195224	/nfs/dbraw/zinc/19/52/24/717195224.db2.gz	ZMVJJIWEZXWPAJ-KUHDOKTFSA-O	1	0	444.460	2.491	10	5	in-vitro	IEBERO
CCC[N+]1(CCCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715229	717127269	/nfs/dbraw/zinc/12/72/69/717127269.db2.gz	QHOUTRIQKXRBOU-LCWAXJCOSA-N	1	0	430.562	2.047	10	5		IEBERO
CC(C)CC[N+]1(CCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715211	717127303	/nfs/dbraw/zinc/12/73/03/717127303.db2.gz	WXNFKZCYEXYBSX-XDWAVFMPSA-N	1	0	444.589	2.293	10	5		IEBERO
COc1ccc2c(c1OC)[C@H](O)[N@+]1(C)CCc3cc4c(c(O)c3[C@@H]1[C@H]2OC(C)=O)OCO4	ZINC000936069452	717195101	/nfs/dbraw/zinc/19/51/01/717195101.db2.gz	ZMVJJIWEZXWPAJ-TWJGJSOSSA-O	1	0	444.460	2.491	10	5	in-vitro	IEBERO
COc1ccc2c(c1OC)[C@@H](O)[N@+]1(C)CCc3cc4c(c(O)c3[C@@H]1[C@H]2OC(C)=O)OCO4	ZINC000936069450	717195301	/nfs/dbraw/zinc/19/53/01/717195301.db2.gz	ZMVJJIWEZXWPAJ-BHLLPTRUSA-O	1	0	444.460	2.491	10	5	in-vitro	IEBERO
CCCC[N+]1(CCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715210	717127529	/nfs/dbraw/zinc/12/75/29/717127529.db2.gz	LNRJHOVSQDATOW-LCWAXJCOSA-N	1	0	430.562	2.047	10	5		IEBERO
COc1ccc2c(c1OC)[C@@H](O)[N@@+]1(C)CCc3cc4c(c(O)c3[C@@H]1[C@H]2OC(C)=O)OCO4	ZINC000936069453	717195257	/nfs/dbraw/zinc/19/52/57/717195257.db2.gz	ZMVJJIWEZXWPAJ-ZOGBDMNLSA-O	1	0	444.460	2.491	10	5	in-vitro	IEBERO
CCCCC[N+]1(CCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715212	717127112	/nfs/dbraw/zinc/12/71/12/717127112.db2.gz	VVXHITSMPWWSID-XDWAVFMPSA-N	1	0	444.589	2.437	10	5		IEBERO
CC(C)[N+]1(CCCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715228	717127519	/nfs/dbraw/zinc/12/75/19/717127519.db2.gz	OARIZUSNKOCDAN-LCWAXJCOSA-N	1	0	430.562	2.045	10	5		IEBERO