smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013533969	570646927	/nfs/dbraw/zinc/64/69/27/570646927.db2.gz	MKEGHROPIHJRPG-CABZTGNLSA-N	0	0	395.372	-0.654	10	5		GBBERN
O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3oc-2c1	ZINC000015206331	212102567	/nfs/dbraw/zinc/10/25/67/212102567.db2.gz	QULZFZMEBOATFS-CWQOZTLDSA-N	0	0	375.333	-0.529	10	5		GBBERN
O=c1ccc2nccc3c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4n1c32	ZINC000032296833	291098294	/nfs/dbraw/zinc/09/82/94/291098294.db2.gz	MWPUPIWCFYQPEG-LWUBGYQZSA-N	0	0	398.371	-0.383	10	5	biogenic,in-vitro	GBBERN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000034363620	570632569	/nfs/dbraw/zinc/63/25/69/570632569.db2.gz	USHWODHGXQXCCH-OXGONZEZSA-N	0	0	384.341	-0.512	10	5	in-vitro	GBBERN
O=c1ccc2nc3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3oc-2c1	ZINC000044170803	570869022	/nfs/dbraw/zinc/86/90/22/570869022.db2.gz	QULZFZMEBOATFS-NNPSNHGLSA-N	0	0	375.333	-0.529	10	5	in-vitro	GBBERN
CC(=O)N[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000059873383	205180769	/nfs/dbraw/zinc/18/07/69/205180769.db2.gz	AZPZEFSKXCBBBD-ZMJPVWNMSA-N	0	0	376.749	-0.989	10	5		GBBERN
O=c1ccc2nc3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cc3oc-2c1	ZINC000077312853	211128571	/nfs/dbraw/zinc/12/85/71/211128571.db2.gz	QULZFZMEBOATFS-KFGODFMUSA-N	0	0	375.333	-0.529	10	5	in-vitro	GBBERN
O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cc3oc-2c1	ZINC000077312857	208038439	/nfs/dbraw/zinc/03/84/39/208038439.db2.gz	QULZFZMEBOATFS-RSJGLCBASA-N	0	0	375.333	-0.529	10	5	in-vitro	GBBERN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1Cl	ZINC000087492950	211179154	/nfs/dbraw/zinc/17/91/54/211179154.db2.gz	UBBCYDPSFMEFFL-KSTCHIGDSA-N	0	0	376.749	-0.429	10	5		GBBERN
O=c1ccc2nc3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3oc-2c1	ZINC000104842158	570906043	/nfs/dbraw/zinc/90/60/43/570906043.db2.gz	QULZFZMEBOATFS-IECFSIQFSA-N	0	0	375.333	-0.529	10	5		GBBERN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000253493596	212137668	/nfs/dbraw/zinc/13/76/68/212137668.db2.gz	USHWODHGXQXCCH-LYYZXLFJSA-N	0	0	384.341	-0.512	10	5		GBBERN